Geometry & MOs

Info

ID:

215757

PubChem CID:

85085209

Reduced:

O31C70H102 (1)

Stoich.:

A31B70C102 (1)

Weight, g/mol:

1447.411515

ΔHf, kcal/mol:

-1386.51

Dipole, Da:

15.72

IP(EA), eV:

 -9.06(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxo-1,3-diazinan-1-yl)-4-[1-(2-fluorophenyl)-4-methoxypiperidin-4-yl]oxyoxolan-3-yl] [3-[hydroxy-[[5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)-3-phosphonooxyoxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(C(C(OC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4O)C)C)(C)C=O)OC8C(C(C(C(O8)C(=O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)(C)C)C)OC(=O)C=CC1=CC=C(C=C1)OC)O)OC1C(C(C(C(O1)CO)O)O)O)O)O

DOS

IR

Vibrations