Geometry & MOs

Info

ID:	175766
PubChem CID:	75944808
Reduced:	ClFSN2O3C18H18 (1)
Stoich.:	ABCD2E3F18G18 (1)
Weight, g/mol:	414.146308
ΔH_f, kcal/mol:	-107.89
Dipole, Da:	6.14
IP(EA), eV:	-9.7(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,4-difluoro-N-[1-[5-fluoro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations