Geometry & MOs

Info

ID:

190348

PubChem CID:

77990434

Reduced:

O5C30H48 (1)

Stoich.:

A5B30C48 (1)

Weight, g/mol:

486.334525

ΔHf, kcal/mol:

-249.14

Dipole, Da:

3.96

IP(EA), eV:

 -8.33(0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-hydroxy-2-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CC(C5(C4CC(CC5)(C)CO)C(=O)O)O)C)C)C

DOS

IR

Vibrations