Geometry & MOs

Info

ID:	88023
PubChem CID:	49900008
Reduced:	NSO3H31C32 (1)
Stoich.:	ABC3D31E32 (1)
Weight, g/mol:	403.124215
ΔH_f, kcal/mol:	-73.45
Dipole, Da:	5.41
IP(EA), eV:	-8.78(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-(naphthalen-2-ylmethyl)-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)/C=C\5/C(=O)N(C(=O)S5)CC6=CC7=CC=CC=C7C=C6

DOS

IR

Vibrations