Geometry & MOs

Info

ID:	355256
PubChem CID:	127288188
Reduced:	N2S2O3C15H16 (1)
Stoich.:	A2B2C3D15E16 (1)
Weight, g/mol:	333.100794
ΔH_f, kcal/mol:	-73.35
Dipole, Da:	4.98
IP(EA), eV:	-8.76(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)sulfonyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)NS(=O)(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations