Geometry & MOs

Info

ID:

296827

PubChem CID:

117595129

Reduced:

O7C30H36 (1)

Stoich.:

A7B30C36 (1)

Weight, g/mol:

782.322161

ΔHf, kcal/mol:

-233.33

Dipole, Da:

8.13

IP(EA), eV:

 -9.33(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-diene-14,18-dione;propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1CCC2=C(C=C3C(=C2O)C(=O)C=C(O3)C)OC1.CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C

DOS

IR

Vibrations