Geometry & MOs

Info

ID:	245154
PubChem CID:	99437707
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-84.94
Dipole, Da:	2.53
IP(EA), eV:	-8.79(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[4-[(2-phenacylsulfanylacetyl)amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)CC2=CC=C(C=C2)NC(=O)CSCC(=O)C3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations