Geometry & MOs

Info

ID:	443669
PubChem CID:	135259726
Reduced:	SO2N5H11C13 (1)
Stoich.:	AB2C5D11E13 (1)
Weight, g/mol:	305.069494
ΔH_f, kcal/mol:	40.3
Dipole, Da:	5.25
IP(EA), eV:	-9.42(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)O)SC2=CC(=NC3=NNN=C23)N

DOS

IR

Vibrations