Geometry & MOs

Info

ID:	232095
PubChem CID:	87575481
Reduced:	BKO3C6H9 (1)
Stoich.:	ABC3D6E9 (1)
Weight, g/mol:	362.180149
ΔH_f, kcal/mol:	-190.26
Dipole, Da:	2.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761675
Charge, e:	0

Chem-info

IUPAC name:

bis[(2R)-2,5-diaminopentanoyl] 2-hydroxybutanedioate

Drug info:

PubChemData

Smile

[B-](C(=O)C)(C(=O)C)C(=O)C.[K+]

DOS

IR

Vibrations