Geometry & MOs

Info

ID:	178441
PubChem CID:	76331222
Reduced:	NOSC10H10 (2)
Stoich.:	ABCD10E10 (2)
Weight, g/mol:	500.074166
ΔH_f, kcal/mol:	16.17
Dipole, Da:	5.05
IP(EA), eV:	-9.02(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(N(C(=S)NC1=O)OCCC2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations