Geometry & MOs

Info

ID:	158656
PubChem CID:	56464443
Reduced:	N2S2O5C18H28 (1)
Stoich.:	A2B2C5D18E28 (1)
Weight, g/mol:	431.118478
ΔH_f, kcal/mol:	-202.97
Dipole, Da:	6.3
IP(EA), eV:	-9.58(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-ethylsulfonylethyl)benzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C2CCCCC2

DOS

IR

Vibrations