Geometry & MOs

Info

ID:	441568
PubChem CID:	135236257
Reduced:	SF3O3N4H17C22 (1)
Stoich.:	AB3C3D4E17F22 (1)
Weight, g/mol:	547.102491
ΔH_f, kcal/mol:	-182.8
Dipole, Da:	8.62
IP(EA), eV:	-8.52(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[6-(methanesulfonamido)-1H-indole-2-carbonyl]amino]phenyl]-6-methoxy-2-(trifluoromethyl)benzoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC2=C(C=C1)C=C(N2C3=CC=CC(=C3)C4=C(C=CC=N4)C(F)(F)F)C(=O)N

DOS

IR

Vibrations