Geometry & MOs

Info

ID:

298822

PubChem CID:

117659352

Reduced:

OF2N5H15C20 (1)

Stoich.:

AB2C5D15E20 (1)

Weight, g/mol:

496.391646

ΔHf, kcal/mol:

6.3

Dipole, Da:

5.19

IP(EA), eV:

 -8.65(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (4aS,6aR,6bS,8aS,10S,12aS,14bS)-2,2,6a,6b,9,9,10,12a-octamethyl-14-oxo-3,4,5,6,7,8,8a,10,11,12,14a,14b-dodecahydro-1H-picene-4a-carboxylate

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1C=C(C=C2OC)C3=CC(=CC(=C3)F)F)C4=NN=CC=C4

DOS

IR

Vibrations