Geometry & MOs

Info

ID:

376048

PubChem CID:

134222049

Reduced:

PO20C103H111 (1)

Stoich.:

AB20C103D111 (1)

Weight, g/mol:

1609.697038

ΔHf, kcal/mol:

-614.91

Dipole, Da:

3.89

IP(EA), eV:

 -8.76(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl [5-[4-hydroxy-3-methoxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2,3,4-tris(phenylmethoxy)pentyl] [4-methoxy-5-[5-(naphthalen-2-ylmethoxy)-2,3,4-tris(phenylmethoxy)pentoxy]-2-(phenylmethoxymethyl)oxolan-3-yl] phosphate

Drug info:

PubChemData

Smile

COC1C(C(OC1OCC(C(C(COP(=O)(OCC2=CC=CC=C2)OC3C(OC(C3OC)OCC(C(C(COCC4=CC5=CC=CC=C5C=C4)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)COCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1)OCC1=CC=CC=C1

DOS

IR

Vibrations