Geometry & MOs

Info

ID:	141281
PubChem CID:	52852685
Reduced:	ClNSO2C8H9 (2)
Stoich.:	ABCD2E8F9 (2)
Weight, g/mol:	375.112701
ΔH_f, kcal/mol:	-147.3
Dipole, Da:	1.27
IP(EA), eV:	-8.58(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)sulfonyl-[4-ethoxy-3-(hydroxymethyl)phenyl]azanide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CCCCl)Cl

DOS

IR

Vibrations