Geometry & MOs

Info

ID:	61667
PubChem CID:	26711663
Reduced:	ClNO3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	462.174392
ΔH_f, kcal/mol:	-75.22
Dipole, Da:	3.83
IP(EA), eV:	-8.83(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)sulfonyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)/C=C/C(=O)NCCC3=CC=C(C=C3)Cl)OC1

DOS

IR

Vibrations