Geometry & MOs

Info

ID:	163011
PubChem CID:	57581367
Reduced:	SN2O4H26C29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	519.215806
ΔH_f, kcal/mol:	-58.81
Dipole, Da:	2.31
IP(EA), eV:	-8.82(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanophenyl)-6-phenylpyridin-2-yl]-4-(3,4-diethoxyphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NC3=NC(=C(S3)CC4=CC=CC=C4)C5=CC=CC=C5)OC1

DOS

IR

Vibrations