Geometry & MOs

Info

ID:	2183
PubChem CID:	6166
Reduced:	OC7H10 (3)
Stoich.:	AB7C10 (3)
Weight, g/mol:	330.219495
ΔH_f, kcal/mol:	-154.13
Dipole, Da:	3.26
IP(EA), eV:	-9.8(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C

DOS

IR

Vibrations