Geometry & MOs

Info

ID:	234484
PubChem CID:	92298532
Reduced:	NSO6C12H17 (1)
Stoich.:	ABC6D12E17 (1)
Weight, g/mol:	403.969227
ΔH_f, kcal/mol:	-225.65
Dipole, Da:	6.35
IP(EA), eV:	-9.65(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-(4-chlorobenzoyl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)NCCO)OCC(=O)OC

DOS

IR

Vibrations