Geometry & MOs

Info

ID:

23551

PubChem CID:

604614

Reduced:

O3C17H26 (2)

Stoich.:

A3B17C26 (2)

Weight, g/mol:

556.376389

ΔHf, kcal/mol:

-336.48

Dipole, Da:

4.8

IP(EA), eV:

 -9.28(0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C(=O)OC)C(=O)OC)C)C)C

DOS

IR

Vibrations