Geometry & MOs

Info

ID:	86714
PubChem CID:	49888616
Reduced:	ClNSO4H20C25 (1)
Stoich.:	ABCD4E20F25 (1)
Weight, g/mol:	481.134779
ΔH_f, kcal/mol:	-77.8
Dipole, Da:	5.72
IP(EA), eV:	-8.97(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=CC=CC=C2Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4

DOS

IR

Vibrations