Geometry & MOs

Info

ID:

83638

PubChem CID:

49859511

Reduced:

O5C21H24 (1)

Stoich.:

A5B21C24 (1)

Weight, g/mol:

442.210387

ΔHf, kcal/mol:

-159.52

Dipole, Da:

3.12

IP(EA), eV:

 -8.71(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,5aR,8R,9R,9aR,9bS)-8,9-dihydroxy-2-[[(2S)-oxolan-2-yl]methyl]-6-phenylmethoxyimino-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-dione

Drug info:

PubChemData

Smile

COC1=CC2=C([C@@H]([C@H](OC2)[C@@H](CO)O)C=CC3=CC=CC=C3)C(=C1)OC

DOS

IR

Vibrations