Geometry & MOs

Info

ID:	158554
PubChem CID:	56464168
Reduced:	N2S2F3O6C17H23 (1)
Stoich.:	A2B2C3D6E17F23 (1)
Weight, g/mol:	403.087178
ΔH_f, kcal/mol:	-396.86
Dipole, Da:	3.5
IP(EA), eV:	-9.63(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)OC(F)(F)F

DOS

IR

Vibrations