Geometry & MOs

Info

ID:	157499
PubChem CID:	56431958
Reduced:	SN2O6C24H24 (1)
Stoich.:	AB2C6D24E24 (1)
Weight, g/mol:	484.127978
ΔH_f, kcal/mol:	-161.24
Dipole, Da:	4.86
IP(EA), eV:	-8.67(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations