Geometry & MOs

Info

ID:	133971
PubChem CID:	51621127
Reduced:	FINO3H7C12 (1)
Stoich.:	ABCD3E7F12 (1)
Weight, g/mol:	327.149087
ΔH_f, kcal/mol:	-12.94
Dipole, Da:	5.3
IP(EA), eV:	-9.72(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N'-(benzenesulfonyl)-3-(4-methylpiperazin-4-ium-1-yl)propanehydrazide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)I)OC2=C(C=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations