Geometry & MOs

Info

ID:

215395

PubChem CID:

85084677

Reduced:

O11C54H54 (1)

Stoich.:

A11B54C54 (1)

Weight, g/mol:

878.377846

ΔHf, kcal/mol:

-346.69

Dipole, Da:

5.28

IP(EA), eV:

 -8.73(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 3-[4-[3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)O)C2CC(OC(C2C(C=CCC(CCC3=CC=C(C=C3)O)O)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O)CCC6=CC=C(C=C6)O)O)C(=O)C=CC7=CC=C(C=C7)O

DOS

IR

Vibrations