Geometry & MOs

Info

ID:	153523
PubChem CID:	56312762
Reduced:	N2O2F3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	453.128919
ΔH_f, kcal/mol:	-199.73
Dipole, Da:	4.64
IP(EA), eV:	-9.72(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloropyridin-3-yl)sulfonyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CCNC(=O)C1=C(C=C(C=C1)F)F)C2=CC=CC=C2F

DOS

IR

Vibrations