Geometry & MOs

Info

ID:	135638
PubChem CID:	51907473
Reduced:	SN2O4C24H32 (1)
Stoich.:	AB2C4D24E32 (1)
Weight, g/mol:	444.208279
ΔH_f, kcal/mol:	-146.16
Dipole, Da:	5.7
IP(EA), eV:	-9.19(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-methoxyphenyl)sulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CCNC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations