Geometry & MOs

Info

ID:	86694
PubChem CID:	49888524
Reduced:	ClINSO4H15C19 (1)
Stoich.:	ABCDE4F15G19 (1)
Weight, g/mol:	508.101227
ΔH_f, kcal/mol:	-83.21
Dipole, Da:	5.6
IP(EA), eV:	-8.89(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)I)OC

DOS

IR

Vibrations