Geometry & MOs

Info

ID:	268409
PubChem CID:	103599283
Reduced:	ClO3N5H18C22 (1)
Stoich.:	AB3C5D18E22 (1)
Weight, g/mol:	444.161997
ΔH_f, kcal/mol:	76.98
Dipole, Da:	3.82
IP(EA), eV:	-8.85(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC(=NO2)CON=C(C3=CC=C(C=C3)OCC4=CN=CC=C4)N)Cl

DOS

IR

Vibrations