Geometry & MOs

Info

ID:	253158
PubChem CID:	103116411
Reduced:	SN3O3H9C10 (1)
Stoich.:	AB3C3D9E10 (1)
Weight, g/mol:	213.074956
ΔH_f, kcal/mol:	-51.13
Dipole, Da:	9.42
IP(EA), eV:	-9.54(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=C(C=CS2)C(=O)O

DOS

IR

Vibrations