Geometry & MOs

Info

ID:	10365
PubChem CID:	101189
Reduced:	N4O8C11H14 (1)
Stoich.:	A4B8C11D14 (1)
Weight, g/mol:	330.081163
ΔH_f, kcal/mol:	-140.96
Dipole, Da:	7.96
IP(EA), eV:	-9.84(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S)-5-[(2,4-dinitrophenyl)hydrazinylidene]pentane-1,2,3,4-tetrol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=C[C@@H]([C@@H]([C@@H](CO)O)O)O

DOS

IR

Vibrations