Geometry & MOs

Info

ID:	86713
PubChem CID:	49888614
Reduced:	BrNSO4H16C24 (1)
Stoich.:	ABCD4E16F24 (1)
Weight, g/mol:	465.080157
ΔH_f, kcal/mol:	-60.82
Dipole, Da:	5.53
IP(EA), eV:	-9.44(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Br)OC(=O)C4=CC=CC=C4)/SC2=O

DOS

IR

Vibrations