Geometry & MOs

Info

ID:	174892
PubChem CID:	75826723
Reduced:	SO2N4C24H30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	461.01707
ΔH_f, kcal/mol:	-46.55
Dipole, Da:	5.42
IP(EA), eV:	-9.92(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[4-(4-bromophenyl)-3-cyano-2-(2-cyclopropyl-2-oxoethyl)sulfanyl-6-oxo-3,4-dihydropyridin-5-ylidene]-ethoxymethanolate

Drug info:

PubChemData

Smile

C1CCC2(CC1)C(C(=NC(=O)C2C#N)SCC(=O)NC34CC5CC(C3)CC(C5)C4)C#N

DOS

IR

Vibrations