Geometry & MOs

Info

ID:	68867
PubChem CID:	46509972
Reduced:	SO3N4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	300.12224
ΔH_f, kcal/mol:	3.72
Dipole, Da:	6.67
IP(EA), eV:	-8.78(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylpyridin-2-yl)-3-(2-nitroanilino)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=CC(=NC4=C3C(=NN4C)C)C5=CC=CS5

DOS

IR

Vibrations