Geometry & MOs

Info

ID:	32136
PubChem CID:	4266338
Reduced:	N3H8C11 (2)
Stoich.:	A3B8C11 (2)
Weight, g/mol:	501.09139
ΔH_f, kcal/mol:	174.89
Dipole, Da:	10.08
IP(EA), eV:	-8.85(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-cyano-2-[5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide

Drug info:

PubChemData

Smile

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCN5C4=NC6=CC=CC=C65)C#N

DOS

IR

Vibrations