Geometry & MOs

Info

ID:	151347
PubChem CID:	53801108
Reduced:	O2C10H15 (2)
Stoich.:	A2B10C15 (2)
Weight, g/mol:	320.154308
ΔH_f, kcal/mol:	-114.25
Dipole, Da:	2.04
IP(EA), eV:	-10.66(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9R,11S,13S,14S)-11-(chloromethyl)-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione

Drug info:

PubChemData

Smile

C1CC1CCCCCOC(=O)C#CC(=O)OCCCCCC2CC2

DOS

IR

Vibrations