Geometry & MOs

Info

ID:	38733
PubChem CID:	8137837
Reduced:	ClSN2O3H17C19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	383.131506
ΔH_f, kcal/mol:	-23.5
Dipole, Da:	3.46
IP(EA), eV:	-8.52(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCCC(=O)OCC2=NC(=NO2)C3=CC=CC=C3Cl

DOS

IR

Vibrations