Geometry & MOs

Info

ID:	43693
PubChem CID:	10321656
Reduced:	NSO3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	452.05169
ΔH_f, kcal/mol:	-67.3
Dipole, Da:	3.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.939913
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dichlorophenyl)-5-methyl-3-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)/C=C/[C]4[CH][CH][CH][CH]4)C

DOS

IR

Vibrations