Geometry & MOs

Info

ID:

397381

PubChem CID:

135030134

Reduced:

PN2O12C43H71 (1)

Stoich.:

AB2C12D43E71 (1)

Weight, g/mol:

935.566753

ΔHf, kcal/mol:

-670.45

Dipole, Da:

8.71

IP(EA), eV:

 -9.18(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S,4R)-1-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]amino]-2,4,16-trimethyl-1-oxoheptadecan-3-yl] (2S)-2-[[2-[(2-diethoxyphosphorylacetyl)-methylamino]acetyl]amino]-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate

Drug info:

PubChemData

Smile

CCOP(=O)(CC(=O)N(C)CC(=O)N[C@@H]([C@H]1C(=O)OC(O1)(C)C)C(=O)O[C@@H]([C@H](C)CCCCCCCCCCCC(C)C)[C@H](C)C(=O)OCC2=CC=CC=C2)OCC

DOS

IR

Vibrations