Geometry & MOs

Info

ID:	196244
PubChem CID:	78801944
Reduced:	SCl2N2O3C17H22 (1)
Stoich.:	AB2C2D3E17F22 (1)
Weight, g/mol:	325.146013
ΔH_f, kcal/mol:	-128.02
Dipole, Da:	2.17
IP(EA), eV:	-8.55(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]propanamide

Drug info:

PubChemData

Smile

COCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC3(Cl)Cl

DOS

IR

Vibrations