Geometry & MOs

Info

ID:

26025

PubChem CID:

636399

Reduced:

ClN2O2C11H17 (1)

Stoich.:

AB2C2D11E17 (1)

Weight, g/mol:

570.355654

ΔHf, kcal/mol:

-76.48

Dipole, Da:

1.78

IP(EA), eV:

 -8.8(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-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

CC(CCC1=CC2=C(C=C1)OCO2)NN.Cl

DOS

IR

Vibrations