Geometry & MOs

Info

ID:	253661
PubChem CID:	103119840
Reduced:	SO2N5H11C12 (1)
Stoich.:	AB2C5D11E12 (1)
Weight, g/mol:	303.078996
ΔH_f, kcal/mol:	29.09
Dipole, Da:	3.57
IP(EA), eV:	-8.81(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=NC(=N1)C2=C3C=CC=CN3N=C2)SCC(=O)O

DOS

IR

Vibrations