Geometry & MOs

Info

ID:

215610

PubChem CID:

85084983

Reduced:

NO12C67H79 (1)

Stoich.:

AB12C67D79 (1)

Weight, g/mol:

1089.560227

ΔHf, kcal/mol:

-405.82

Dipole, Da:

6.04

IP(EA), eV:

 -8.6(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[[2,4-dihydroxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-2-[10-[(4-methoxyphenyl)methoxy]decyl]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COCCCCCCCCCCC2C(C(C(C(O2)COCC3=CC=CC=C3)CC(=O)CC(C(C(COCC4=CC=CC=C4)O)OCC5=CC=CC=C5)O)OCC6=CC=CC=C6)N7C(=O)C8=CC=CC=C8C7=O

DOS

IR

Vibrations