Geometry & MOs

Info

ID:	158022
PubChem CID:	56459412
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	461.209676
ΔH_f, kcal/mol:	-47.1
Dipole, Da:	3.17
IP(EA), eV:	-8.27(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-[2-(4-methylpiperazin-1-yl)propylamino]-3-nitro-N-phenylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(C1)C(=O)NCC2=CC(=CC=C2)N(C)C)C3=CC=CC=C3

DOS

IR

Vibrations