Geometry & MOs

Info

ID:	125849
PubChem CID:	50941320
Reduced:	ClNOSC12H26 (1)
Stoich.:	ABCDE12F26 (1)
Weight, g/mol:	380.97412
ΔH_f, kcal/mol:	-91.17
Dipole, Da:	2.83
IP(EA), eV:	-8.32(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(trifluoromethyl)phenyl]-[1,3]dithiolo[4,5-f]isoindole-2,5,7-trione

Drug info:

PubChemData

Smile

CCC[C@H](CCCCl)CN[S@](=O)C(C)(C)C

DOS

IR

Vibrations