Geometry & MOs

Info

ID:	253212
PubChem CID:	103116825
Reduced:	SO3N4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	199.059306
ΔH_f, kcal/mol:	-49.33
Dipole, Da:	3.26
IP(EA), eV:	-9.66(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-methylpyrazole-3-carbonyl)amino]oxyacetic acid

Drug info:

PubChemData

Smile

CCC1N(C(CS1)C(=O)O)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations