Geometry & MOs

Info

ID:	87958
PubChem CID:	49899038
Reduced:	ClNSO5H22C30 (1)
Stoich.:	ABCD5E22F30 (1)
Weight, g/mol:	524.155849
ΔH_f, kcal/mol:	-102.61
Dipole, Da:	3.36
IP(EA), eV:	-8.9(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC5=CC=CC=C54)OC

DOS

IR

Vibrations