Geometry & MOs

Info

ID:	149429
PubChem CID:	53789102
Reduced:	PC3O5H7 (2)
Stoich.:	AB3C5D7 (2)
Weight, g/mol:	240.040066
ΔH_f, kcal/mol:	-530.91
Dipole, Da:	4.85
IP(EA), eV:	-10.02(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5S,6R)-2-chloro-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

C1(C(C(C(C(C1O)OP(O)O)OP(O)O)O)O)O

DOS

IR

Vibrations