Geometry & MOs

Info

ID:	67271
PubChem CID:	46506173
Reduced:	BrSN2O6C23H27 (1)
Stoich.:	ABC2D6E23F27 (1)
Weight, g/mol:	554.181979
ΔH_f, kcal/mol:	-196.26
Dipole, Da:	11.92
IP(EA), eV:	-8.28(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenyl)-6-oxo-1-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N(C)C3=C(C=C(C=C3)OC)OC)Br

DOS

IR

Vibrations