Geometry & MOs

Info

ID:	6118
PubChem CID:	67083
Reduced:	O3C28H40 (1)
Stoich.:	A3B28C40 (1)
Weight, g/mol:	424.297745
ΔH_f, kcal/mol:	-176.91
Dipole, Da:	1.95
IP(EA), eV:	-8.73(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-cyclooctylacetate

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CC4CCCCCCC4)CCC5=C3C=CC(=C5)O

DOS

IR

Vibrations