Geometry & MOs

Info

ID:	158476
PubChem CID:	56463774
Reduced:	N2S2O4C19H24 (1)
Stoich.:	A2B2C4D19E24 (1)
Weight, g/mol:	412.166808
ΔH_f, kcal/mol:	-138.55
Dipole, Da:	9.83
IP(EA), eV:	-9.19(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethoxybenzoyl)-N-(2-ethylsulfonylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC(=CC=C1)NC(=O)CCCC2=CC=CS2

DOS

IR

Vibrations