Geometry & MOs

Info

ID:	402569
PubChem CID:	135056438
Reduced:	ClNOSH8C13 (1)
Stoich.:	ABCDE8F13 (1)
Weight, g/mol:	258.014069
ΔH_f, kcal/mol:	36.83
Dipole, Da:	1.03
IP(EA), eV:	-9.02(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

[(5S)-3,4,5,6-tetrahydroxy-2-oxohexyl] phosphate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(O2)SC3=CC=C(C=C3)Cl

DOS

IR

Vibrations