Geometry & MOs

Info

ID:

215457

PubChem CID:

85084761

Reduced:

O18C47H76 (1)

Stoich.:

A18B47C76 (1)

Weight, g/mol:

933.301995

ΔHf, kcal/mol:

-756.89

Dipole, Da:

4.53

IP(EA), eV:

 -8.27(0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[2-cyanoethoxy-[2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-3-yl]sulfanylphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4C3C=CC56C4(CC(C7(C5CC(CC7)(C)C)CO6)O)C)C)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O

DOS

IR

Vibrations