Geometry & MOs

Info

ID:	369070
PubChem CID:	127331212
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	-78.03
Dipole, Da:	4.52
IP(EA), eV:	-8.59(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(acetamidomethyl)-N-(2,3-dihydro-1-benzothiophen-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N(C)C1CCN(CC1)C(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations