Geometry & MOs

Info

ID:

969

PubChem CID:

3597

Reduced:

O6C29H44 (1)

Stoich.:

A6B29C44 (1)

Weight, g/mol:

488.313789

ΔHf, kcal/mol:

-314.82

Dipole, Da:

2.95

IP(EA), eV:

 -9.47(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1-acetyloxy-13-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-4-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CC2C3(CCC4C(CCCC4(C3CC(C2(C5C1=COC5OC(=O)C)C)O)C)(C)C)C

DOS

IR

Vibrations