Geometry & MOs

Info

ID:	141148
PubChem CID:	52827234
Reduced:	SO3N6C23H28 (1)
Stoich.:	AB3C6D23E28 (1)
Weight, g/mol:	395.12902
ΔH_f, kcal/mol:	-32.42
Dipole, Da:	7.2
IP(EA), eV:	-9.27(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)sulfonyl-[2-(3,5-dimethylpyrazol-1-yl)phenyl]azanide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C4=CN5C=NN=C5C=C4

DOS

IR

Vibrations