Geometry & MOs

Info

ID:

23724

PubChem CID:

605534

Reduced:

O3C17H26 (2)

Stoich.:

A3B17C26 (2)

Weight, g/mol:

556.376389

ΔHf, kcal/mol:

-333.11

Dipole, Da:

2.79

IP(EA), eV:

 -9.27(0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 10-acetyloxy-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylate

Drug info:

PubChemData

Smile

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C(=O)OC)C(=O)OC

DOS

IR

Vibrations