Geometry & MOs

Info

ID:	179885
PubChem CID:	76549516
Reduced:	OSN4H6C7 (1)
Stoich.:	ABC4D6E7 (1)
Weight, g/mol:	189.063722
ΔH_f, kcal/mol:	69.06
Dipole, Da:	1.91
IP(EA), eV:	-9.15(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-3-methylbutanoyl)oxy-2-oxoacetic acid

Drug info:

PubChemData

Smile

CSC1=NC=C(C=N1)C(=O)C=[N+]=[N-]

DOS

IR

Vibrations