Geometry & MOs

Info

ID:	62128
PubChem CID:	26717688
Reduced:	SCl2N2O4C19H22 (1)
Stoich.:	AB2C2D4E19F22 (1)
Weight, g/mol:	488.114826
ΔH_f, kcal/mol:	-147.96
Dipole, Da:	4.84
IP(EA), eV:	-9.54(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methyl-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N[C@H](C)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations