Geometry & MOs

Info

ID:	162988
PubChem CID:	57581241
Reduced:	SN2O3H24C28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	434.199428
ΔH_f, kcal/mol:	-21.99
Dipole, Da:	2.48
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethylphenyl)-N-(4,6-diphenylpyridin-2-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)C(=O)CCC(=O)NC3=NC(=C(S3)CC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations