Geometry & MOs

Info

ID:

83600

PubChem CID:

49858586

Reduced:

N2O3C16H20 (1)

Stoich.:

A2B3C16D20 (1)

Weight, g/mol:

531.22168

ΔHf, kcal/mol:

-108.59

Dipole, Da:

3.22

IP(EA), eV:

 -9.14(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[(3aR,5aR,8R,9S,9aS,9bR)-8,9-dihydroxy-6-[(4-methoxyphenyl)methoxycarbonylhydrazinylidene]-1,3-dioxo-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindol-2-yl]propanoate

Drug info:

PubChemData

Smile

CCN1C(=C(C(N(C1=O)C)C2=CC=CC=C2)C(=O)OC)C

DOS

IR

Vibrations