Geometry & MOs

Info

ID:	158343
PubChem CID:	56463446
Reduced:	SO3N4C22H30 (1)
Stoich.:	AB3C4D22E30 (1)
Weight, g/mol:	425.24269
ΔH_f, kcal/mol:	-79.37
Dipole, Da:	6.47
IP(EA), eV:	-8.56(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-4-(4-nitroanilino)butanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC(CN2CCN(CC2)C)C3=CC=CC=C3)NS(=O)(=O)C

DOS

IR

Vibrations