Geometry & MOs

Info

ID:	143667
PubChem CID:	53246367
Reduced:	SN3O3C26H29 (1)
Stoich.:	AB3C3D26E29 (1)
Weight, g/mol:	429.208613
ΔH_f, kcal/mol:	-61.64
Dipole, Da:	8.54
IP(EA), eV:	-9.23(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6R)-1-(benzenesulfonyl)-N-[1-(dimethylamino)propan-2-yl]-6-phenylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C(C)NC(=O)[C@@H]2CC[C@@H](N(C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations