Geometry & MOs

Info

ID:	124059
PubChem CID:	50871445
Reduced:	FNS3O7H14C19 (1)
Stoich.:	ABC3D7E14F19 (1)
Weight, g/mol:	462.067212
ΔH_f, kcal/mol:	-226.04
Dipole, Da:	5.15
IP(EA), eV:	-9.16(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-(3-fluorophenyl)-5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)OS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations