Geometry & MOs

Info

ID:	191576
PubChem CID:	78164841
Reduced:	SN2F3O4C25H27 (1)
Stoich.:	AB2C3D4E25F27 (1)
Weight, g/mol:	534.191246
ΔH_f, kcal/mol:	-267.3
Dipole, Da:	4.81
IP(EA), eV:	-9.43(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-(4-pyrazol-1-ylphenyl)sulfonyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(C(C)C1=CC=CC=C1C(F)(F)F)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OC=C4

DOS

IR

Vibrations