Geometry & MOs

Info

ID:

180798

PubChem CID:

76687413

Reduced:

INO9C24H34 (1)

Stoich.:

ABC9D24E34 (1)

Weight, g/mol:

739.448175

ΔHf, kcal/mol:

-349.14

Dipole, Da:

7.11

IP(EA), eV:

 -8.77(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(11,17-dihydroxy-1,4,8,12-tetramethyl-18-oxo-16-bicyclo[13.3.0]octadeca-3,7,12,16-tetraenyl)propyl 8-oxo-12-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-b]pyrrol-4-yl)dodecanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)C2=C(C(=C(C=C2)I)OCCOC)OCCOC

DOS

IR

Vibrations