Geometry & MOs

Info

ID:	5788
PubChem CID:	13789
Reduced:	O3C22H28 (1)
Stoich.:	A3B22C28 (1)
Weight, g/mol:	340.203845
ΔH_f, kcal/mol:	-81.48
Dipole, Da:	7.32
IP(EA), eV:	-8.58(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C

DOS

IR

Vibrations