Geometry & MOs

Info

ID:

390146

PubChem CID:

134997350

Reduced:

NO2C20H21 (1)

Stoich.:

AB2C20D21 (1)

Weight, g/mol:

1990.51115

ΔHf, kcal/mol:

-34.96

Dipole, Da:

1.73

IP(EA), eV:

-8.58(-0.45)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[6-[6-[[4-acetyloxy-5-(1,3-dioxoisoindol-2-yl)-6-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfanyl]-3-[3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dibenzoyloxy-2-(benzoyloxymethyl)oxan-3-yl]oxy-7-benzoyloxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl benzoate

Drug info:

PubChemData

Smile

CCOC(=O)CCCN1C2=CC=CC=C2C=CC3=CC=CC=C31

DOS

IR

Vibrations