Geometry & MOs

Info

ID:

83611

PubChem CID:

49858848

Reduced:

O2N3C18H25 (1)

Stoich.:

A2B3C18D25 (1)

Weight, g/mol:

538.267902

ΔHf, kcal/mol:

-38.76

Dipole, Da:

4.34

IP(EA), eV:

 -8.84(0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,5aS,8R,9S,9aS,9bR)-2-(1,3-benzodioxol-5-ylmethyl)-6-(3,7-dimethylocta-2,6-dienoxyimino)-8,9-dihydroxy-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCN1[C@@H]([C@H]([C@@H](N=C1NCC=C)C2=CC=CC=C2)C(=O)OC)C

DOS

IR

Vibrations