Geometry & MOs

Info

ID:	68940
PubChem CID:	46513101
Reduced:	FO2N3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	464.19452
ΔH_f, kcal/mol:	-60.01
Dipole, Da:	3.33
IP(EA), eV:	-9.0(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)OCC(=O)NC(C2=CC=C(C=C2)F)C3=NC=CN3C

DOS

IR

Vibrations