Geometry & MOs

Info

ID:

313

PubChem CID:

2561

Reduced:

O7C34H50 (1)

Stoich.:

A7B34C50 (1)

Weight, g/mol:

570.355654

ΔHf, kcal/mol:

-375.23

Dipole, Da:

10.64

IP(EA), eV:

 -9.72(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2CCC3(C(C2(CCC1OC(=O)CCC(=O)O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C

DOS

IR

Vibrations