Geometry & MOs

Info

ID:	406334
PubChem CID:	135077258
Reduced:	NO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	747.196192
ΔH_f, kcal/mol:	-56.96
Dipole, Da:	3.89
IP(EA), eV:	-9.35(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-acetamido-4-acetyloxy-3-(benzenecarbonothioyloxy)-2-diethoxyphosphanyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCCCC2C(=O)N=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations