Geometry & MOs

Info

ID:

81924

PubChem CID:

49855358

Reduced:

O4H19C20 (2)

Stoich.:

A4B19C20 (2)

Weight, g/mol:

446.230453

ΔHf, kcal/mol:

-245.73

Dipole, Da:

1.52

IP(EA), eV:

 -7.91(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S,4aS,9S,10aR)-1,9-diacetyloxy-6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl] acetate

Drug info:

PubChemData

Smile

CC(=CCC1=C2C=CC3=C(C2=CC(=C1O)O)C(=CC(=C3C4=C(C=C(C5=C4C=CC6=C(C(=C(C=C65)O)O)CC=C(C)C)O)OC)OC)O)C

DOS

IR

Vibrations