Geometry & MOs

Info

ID:	230794
PubChem CID:	87572015
Reduced:	HSO2C3F5 (1)
Stoich.:	ABC2D3E5 (1)
Weight, g/mol:	561.125828
ΔH_f, kcal/mol:	-339.57
Dipole, Da:	3.31
IP(EA), eV:	-11.02(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1-[3,5-bis(trifluoromethyl)phenyl]piperidin-1-ium-1-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C(=O)(O)SC(C(F)(F)F)(F)F

DOS

IR

Vibrations