Geometry & MOs

Info

ID:	154151
PubChem CID:	56313550
Reduced:	FNO2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	435.138341
ΔH_f, kcal/mol:	-95.92
Dipole, Da:	6.44
IP(EA), eV:	-9.32(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloropyridin-3-yl)sulfonyl-N-(3-phenylbutyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=C(C=CC(=C1)F)OC)C2=CC=CC=C2

DOS

IR

Vibrations