Geometry & MOs

Info

ID:	122479
PubChem CID:	50808774
Reduced:	SN2O3C30H38 (1)
Stoich.:	AB2C3D30E38 (1)
Weight, g/mol:	428.213364
ΔH_f, kcal/mol:	-124.02
Dipole, Da:	2.76
IP(EA), eV:	-8.65(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-diethylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CS(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations