Geometry & MOs

Info

ID:	225110
PubChem CID:	85741789
Reduced:	NCl3O3H8C11 (1)
Stoich.:	AB3C3D8E11 (1)
Weight, g/mol:	310.10123
ΔH_f, kcal/mol:	-96.46
Dipole, Da:	1.84
IP(EA), eV:	-10.12(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-[2-(2,3,4,5,6-pentahydroxyhexanoyl)hydrazinyl]butanoic acid

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)C(=O)O)C(=O)C(=C(Cl)Cl)Cl

DOS

IR

Vibrations