Geometry & MOs

Info

ID:	405519
PubChem CID:	135074305
Reduced:	ClNOC19H22 (1)
Stoich.:	ABCD19E22 (1)
Weight, g/mol:	563.054988
ΔH_f, kcal/mol:	-19.43
Dipole, Da:	2.49
IP(EA), eV:	-7.93(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2CCCCC2C3=CC(=CC=C3)Cl

DOS

IR

Vibrations