Geometry & MOs

Info

ID:	87972
PubChem CID:	49899191
Reduced:	ClNSO4H24C30 (1)
Stoich.:	ABCD4E24F30 (1)
Weight, g/mol:	544.026263
ΔH_f, kcal/mol:	-64.73
Dipole, Da:	2.82
IP(EA), eV:	-8.68(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(3,4-dichlorophenyl)methyl]-5-[[3-methoxy-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=CC4=CC=CC=C4C=C3)OCC5=CC=CC=C5Cl

DOS

IR

Vibrations