Geometry & MOs

Info

ID:	87265
PubChem CID:	49893500
Reduced:	NSO4H25C27 (1)
Stoich.:	ABC4D25E27 (1)
Weight, g/mol:	460.109293
ΔH_f, kcal/mol:	-81.9
Dipole, Da:	3.4
IP(EA), eV:	-8.6(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-methylphenyl)methyl]-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)C)OCC4=CC=CC=C4

DOS

IR

Vibrations