Geometry & MOs

Info

ID:	229741
PubChem CID:	87568752
Reduced:	SO7C19H26 (1)
Stoich.:	AB7C19D26 (1)
Weight, g/mol:	361.956901
ΔH_f, kcal/mol:	-285.26
Dipole, Da:	4.56
IP(EA), eV:	-9.68(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R)-1-hydroxy-3,4-diphosphonooxybutan-2-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(C1CCCCC1)(C2CO[C@@H](O2)C(=O)OCC3=CC=CC=C3)S(=O)(=O)O

DOS

IR

Vibrations