Geometry & MOs

Info

ID:	196557
PubChem CID:	78847826
Reduced:	SO2N4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	400.182064
ΔH_f, kcal/mol:	-64.46
Dipole, Da:	4.26
IP(EA), eV:	-8.78(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfonyl-N-[(3-methylphenyl)methyl]-4-phenylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)C2=C(N=C(N=C2SC)C(C)C)C

DOS

IR

Vibrations