Geometry & MOs

Info

ID:	368816
PubChem CID:	127330244
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	340.091535
ΔH_f, kcal/mol:	-113.47
Dipole, Da:	5.53
IP(EA), eV:	-8.53(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C2=O)CC(=O)NC3CSC4=CC=CC=C34

DOS

IR

Vibrations