Geometry & MOs

Info

ID:	151419
PubChem CID:	53801237
Reduced:	NO4C6H6 (2)
Stoich.:	AB4C6D6 (2)
Weight, g/mol:	290.063782
ΔH_f, kcal/mol:	-156.02
Dipole, Da:	6.87
IP(EA), eV:	-10.48(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl] 2,4-dioxocyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(CCC(=O)O)[N+](=O)[O-])(C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations