Geometry & MOs

Info

ID:	141318
PubChem CID:	52859604
Reduced:	N2O2C21H27 (1)
Stoich.:	A2B2C21D27 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-46.43
Dipole, Da:	4.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.126192
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-1-[2-(2-hydroxyphenyl)acetyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CC[NH+]([C@H](C1)CNC(=O)CC2=CC=CC=C2O)CC3=CC=CC=C3

DOS

IR

Vibrations