Geometry & MOs

Info

ID:	68919
PubChem CID:	46512066
Reduced:	SCl2O3N4H14C20 (1)
Stoich.:	AB2C3D4E14F20 (1)
Weight, g/mol:	457.056228
ΔH_f, kcal/mol:	-43.8
Dipole, Da:	1.3
IP(EA), eV:	-8.62(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-difluorophenyl)-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)C(C)N2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl)C4=CC=CC=N4

DOS

IR

Vibrations