Geometry & MOs

Info

ID:

397115

PubChem CID:

135029753

Reduced:

NO5H21C27 (1)

Stoich.:

AB5C21D27 (1)

Weight, g/mol:

516.300638

ΔHf, kcal/mol:

-117.38

Dipole, Da:

1.53

IP(EA), eV:

 -9.01(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5R,7S,8R)-3-chloro-4-methoxy-8-methyl-5,7-bis(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C=C1)N=C3C(=C2C4=CC=C(C=C4)C(=O)OC)COC5=CC=CC=C53

DOS

IR

Vibrations