Geometry & MOs

Info

ID:	62125
PubChem CID:	26717678
Reduced:	O2Cl3N3C18H18 (1)
Stoich.:	A2B3C3D18E18 (1)
Weight, g/mol:	488.07844
ΔH_f, kcal/mol:	-79.81
Dipole, Da:	6.19
IP(EA), eV:	-9.54(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)C[C@H](C2=CC=C(C=C2)Cl)NC(=O)N

DOS

IR

Vibrations