Geometry & MOs

Info

ID:	253635
PubChem CID:	103119686
Reduced:	OSH5N5C8 (1)
Stoich.:	ABC5D5E8 (1)
Weight, g/mol:	290.058595
ΔH_f, kcal/mol:	94.01
Dipole, Da:	4.32
IP(EA), eV:	-9.01(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN2C(=C(C=N2)C3=NNC(=S)O3)C=N1

DOS

IR

Vibrations