Geometry & MOs

Info

ID:	407879
PubChem CID:	135080634
Reduced:	NO5C8H13 (1)
Stoich.:	AB5C8D13 (1)
Weight, g/mol:	256.034804
ΔH_f, kcal/mol:	-212.31
Dipole, Da:	0.91
IP(EA), eV:	-8.68(0.34)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

[(2R,3R,4S)-2,3,4-trihydroxy-5-oxoheptyl] phosphate

Drug info:

PubChemData

Smile

CC(C(C(=O)[O-])NCCOC)C(=O)[O-]

DOS

IR

Vibrations