Geometry & MOs

Info

ID:	87404
PubChem CID:	49894498
Reduced:	BrNSO4H18C20 (1)
Stoich.:	ABCD4E18F20 (1)
Weight, g/mol:	479.095807
ΔH_f, kcal/mol:	-107.36
Dipole, Da:	2.74
IP(EA), eV:	-8.94(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1O)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)C)Br

DOS

IR

Vibrations