Geometry & MOs

Info

ID:	369055
PubChem CID:	127331187
Reduced:	SO2N4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	341.086784
ΔH_f, kcal/mol:	-11.99
Dipole, Da:	2.89
IP(EA), eV:	-8.62(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylsulfonylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2CCN(CC2)C(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations