Geometry & MOs

Info

ID:	404774
PubChem CID:	135070790
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	258.014069
ΔH_f, kcal/mol:	-39.31
Dipole, Da:	8.92
IP(EA), eV:	-8.92(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

[(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)/C(=C/C(=O)N)/O

DOS

IR

Vibrations