Geometry & MOs

Info

ID:	253660
PubChem CID:	103119831
Reduced:	SO3N5C11H15 (1)
Stoich.:	AB3C5D11E15 (1)
Weight, g/mol:	289.063346
ΔH_f, kcal/mol:	-37.42
Dipole, Da:	9.46
IP(EA), eV:	-9.09(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=NN=C(N2CCOC)SCC(=O)O

DOS

IR

Vibrations