Geometry & MOs

Info

ID:	174837
PubChem CID:	75820323
Reduced:	O3N4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	386.186201
ΔH_f, kcal/mol:	-60.23
Dipole, Da:	3.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.924875
Charge, e:	1

Chem-info

IUPAC name:

4-[2-(4-ethylpiperazin-4-ium-1-yl)propylamino]-N-methyl-3-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CN(C)C1=[NH+]C=C(C=C1)NC(=O)N(C)CC2COC3=CC=CC=C3O2

DOS

IR

Vibrations