Geometry & MOs

Info

ID:

317370

PubChem CID:

126636888

Reduced:

FNO8C30H42 (1)

Stoich.:

ABC8D30E42 (1)

Weight, g/mol:

470.194068

ΔHf, kcal/mol:

-407.82

Dipole, Da:

6.56

IP(EA), eV:

 -8.95(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,6Z,9S,10S,12E,14R)-9,10,18-trihydroxy-16-[(4-methoxyphenyl)methoxy]-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,12,16-tetraene-2,8-dione

Drug info:

PubChemData

Smile

C[C@@H]1/C=C(\CC2C(C/C=C/C3=C(C(=CC(=C3)N(C)C(=O)OC(C)(C)C)OCOC)C(=O)O[C@H]1C)OC(O2)(C)C)/F

DOS

IR

Vibrations