Geometry & MOs

Info

ID:	165547
PubChem CID:	74564291
Reduced:	BrNO2H16C19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	498.089045
ΔH_f, kcal/mol:	-2.28
Dipole, Da:	6.72
IP(EA), eV:	-8.98(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,4-dihydropyridin-3-ylidene]-methoxymethanolate

Drug info:

PubChemData

Smile

CC(=C)C(=O)NC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations