Geometry & MOs

Info

ID:	6115
PubChem CID:	67080
Reduced:	O2C11H15 (2)
Stoich.:	A2B11C15 (2)
Weight, g/mol:	358.214409
ΔH_f, kcal/mol:	-183.18
Dipole, Da:	1.99
IP(EA), eV:	-8.71(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,13S,14S,17S)-17-(1,4-dioxan-2-yloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4COCCO4)CCC5=C3C=CC(=C5)O

DOS

IR

Vibrations