Mol:
8.6173 4.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2577 2.3550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6173 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8980 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8980 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5384 2.3550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1787 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5384 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1787 4.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 4 1 0 0 0 0
9 10 1 0 0 0 0
6 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 11 2 0 0 0 0
13 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
26 17 1 0 0 0 0
26 27 2 0 0 0 0
M CHG 1 2 1
M CHG 1 3 -1
M END
如需查看或获取完整mol文件,请关注官方微信公众号(微信搜一搜:Chem960),回复CAS号+“mol”(如回复:98-98-6 mol)免费获取。