Geometry & MOs

Info

ID:	89897
PubChem CID:	49965290
Reduced:	SN2O3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	381.089561
ΔH_f, kcal/mol:	-64.92
Dipole, Da:	4.97
IP(EA), eV:	-9.21(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(6-amino-3,5-dicyano-4-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=CC=C3

DOS

IR

Vibrations