Geometry & MOs

Info

ID:	60534
PubChem CID:	26697148
Reduced:	F2N2O3C18H18 (1)
Stoich.:	A2B2C3D18E18 (1)
Weight, g/mol:	474.099176
ΔH_f, kcal/mol:	-194.56
Dipole, Da:	2.79
IP(EA), eV:	-8.78(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations