Geometry & MOs

Info

ID:	29324
PubChem CID:	832952
Reduced:	SN2O4H16C17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	274.110613
ΔH_f, kcal/mol:	-85.68
Dipole, Da:	4.39
IP(EA), eV:	-8.43(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-2-oxo-4,6-diphenyl-3,4-dihydro-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC)OC

DOS

IR

Vibrations