Geometry & MOs

Info

ID:

169338

PubChem CID:

75090063

Reduced:

NO4C11H11 (2)

Stoich.:

AB4C11D11 (2)

Weight, g/mol:

508.201652

ΔHf, kcal/mol:

-284.91

Dipole, Da:

9.08

IP(EA), eV:

 -9.31(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2'-chloro-2',6,9,11'-tetramethyl-6'-methylidenespiro[4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3,15'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-2,7,7'-trione

Drug info:

PubChemData

Smile

C1OC2=C(O1)C(=C3C(=C2)C4C(C(C(C(C4NC(=O)CC5=CC=CC=C5)O)O)O)NC3=O)O

DOS

IR

Vibrations