Geometry & MOs

Info

ID:	232721
PubChem CID:	87576813
Reduced:	ClNaSO3H8C14 (1)
Stoich.:	ABCD3E8F14 (1)
Weight, g/mol:	559.156418
ΔH_f, kcal/mol:	-125.19
Dipole, Da:	13.26
IP(EA), eV:	-9.26(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(2,2,3,3,3-pentafluoropropoxy)ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3S(=O)(=O)[O-])Cl.[Na+]

DOS

IR

Vibrations