Geometry & MOs

Info

ID:	87557
PubChem CID:	49895353
Reduced:	ClNSO4H24C27 (1)
Stoich.:	ABCD4E24F27 (1)
Weight, g/mol:	513.056835
ΔH_f, kcal/mol:	-92.77
Dipole, Da:	2.65
IP(EA), eV:	-8.7(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-[(3-methylphenyl)methyl]-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=CC=C3C)OCC4=CC=CC=C4Cl

DOS

IR

Vibrations