Geometry & MOs

Info

ID:	300426
PubChem CID:	121280676
Reduced:	N3O9C41H77 (1)
Stoich.:	A3B9C41D77 (1)
Weight, g/mol:	228.076275
ΔH_f, kcal/mol:	-450.18
Dipole, Da:	7.0
IP(EA), eV:	-9.44(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-[(1S,2S)-2,3-dihydroxy-1-phosphanyloxypropoxy]butane-1,3-diol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC[C@@H]1[C@@H](OC(O1)(C)C)[C@H](CO[C@@H]2C([C@H]([C@@H](C(O2)COC(=O)C)OCCCC)OCCCC)OCCCC)N=[N+]=[N-]

DOS

IR

Vibrations