Geometry & MOs

Info

ID:	143669
PubChem CID:	53246369
Reduced:	SN2O4C24H26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	435.161663
ΔH_f, kcal/mol:	-90.39
Dipole, Da:	7.96
IP(EA), eV:	-9.37(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6R)-1-(benzenesulfonyl)-6-phenyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CO1)NC(=O)[C@@H]2CC[C@@H](N(C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations