Geometry & MOs

Info

ID:	391274
PubChem CID:	135004059
Reduced:	ClNO6C16H22 (1)
Stoich.:	ABC6D16E22 (1)
Weight, g/mol:	472.159414
ΔH_f, kcal/mol:	-260.48
Dipole, Da:	5.27
IP(EA), eV:	-9.41(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-cyano-4-[(2-ethoxy-2-oxoethyl)amino]-1-[(E)-(4-methoxyphenyl)methylideneamino]-6-oxo-2,5-dihydropyridine-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CC(=O)C(C(C(=C=NC(C)(C)C)C(=O)OC)C(=O)OC)(C(=O)C)Cl

DOS

IR

Vibrations