Geometry & MOs

Info

ID:	178442
PubChem CID:	76331294
Reduced:	SO2N4F6H14C21 (1)
Stoich.:	AB2C4D6E14F21 (1)
Weight, g/mol:	524.112996
ΔH_f, kcal/mol:	-273.95
Dipole, Da:	5.63
IP(EA), eV:	-9.68(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C3=C2C(=CC(=N3)C(F)(F)F)C(F)(F)F)C4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations