Geometry & MOs

Info

ID:

449923

PubChem CID:

135302576

Reduced:

Cl2O7H22C26 (1)

Stoich.:

A2B7C22D26 (1)

Weight, g/mol:

390.240624

ΔHf, kcal/mol:

-224.2

Dipole, Da:

8.22

IP(EA), eV:

 -8.71(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2R,4aS,8aS)-1,2,5,5,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-yl] (E)-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxy]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)OC)O)Cl)Cl)O)OC

DOS

IR

Vibrations