Geometry & MOs

Info

ID:	124490
PubChem CID:	50885085
Reduced:	N2O3H14C18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	452.137222
ΔH_f, kcal/mol:	-21.35
Dipole, Da:	3.74
IP(EA), eV:	-8.7(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(Z)-[5-cyano-4-methyl-2,6-dioxo-1-(2-phenylethyl)pyridin-3-ylidene]methyl]furan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(O2)C=NC3=CC=C(C=C3)O)C(=O)N

DOS

IR

Vibrations