Geometry & MOs

Info

ID:	302706
PubChem CID:	124392062
Reduced:	FINO2S2H15C19 (1)
Stoich.:	ABCD2E2F15G19 (1)
Weight, g/mol:	436.145678
ΔH_f, kcal/mol:	-24.02
Dipole, Da:	4.12
IP(EA), eV:	-8.9(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(benzenesulfonyl)-N-(4-phenoxyphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC3=CC=CC=C3F)I)/SC1=S

DOS

IR

Vibrations