Geometry & MOs

Info

ID:	214272
PubChem CID:	84974861
Reduced:	ClN2S2O3C14H21 (1)
Stoich.:	AB2C2D3E14F21 (1)
Weight, g/mol:	337.032161
ΔH_f, kcal/mol:	-102.27
Dipole, Da:	3.25
IP(EA), eV:	-8.71(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CCOC(C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations