Geometry & MOs

Info

ID:	228547
PubChem CID:	87565262
Reduced:	H3O4N5C6 (1)
Stoich.:	A3B4C5D6 (1)
Weight, g/mol:	418.231516
ΔH_f, kcal/mol:	90.75
Dipole, Da:	6.96
IP(EA), eV:	-10.79(-2.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,3-bis[[(2S)-2-amino-3-methylpentanoyl]oxy]propoxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC2=NNN=C2C(=C1[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations