Geometry & MOs

Info

ID:

222145

PubChem CID:

85294692

Reduced:

O23C44H70 (1)

Stoich.:

A23B44C70 (1)

Weight, g/mol:

970.386436

ΔHf, kcal/mol:

-970.32

Dipole, Da:

5.23

IP(EA), eV:

 -8.88(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diethyl 2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2-[[[2-(2,2-dimethylpropanoyloxymethyl)-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-3-yl]oxy-(2-methoxyethoxy)phosphoryl]oxymethyl]propanedioate

Drug info:

PubChemData

Smile

CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)O)(C)C(=O)OC8C(C(C(C(O8)CO)O)O)O

DOS

IR

Vibrations