Geometry & MOs

Info

ID:	126858
PubChem CID:	50982101
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	378.141342
ΔH_f, kcal/mol:	-174.46
Dipole, Da:	6.53
IP(EA), eV:	-8.94(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=CC=C1)OCC(=O)N(C)CCCC2CCCO2

DOS

IR

Vibrations