Geometry & MOs

Info

ID:	12232
PubChem CID:	133157
Reduced:	OC9H12 (3)
Stoich.:	AB9C12 (3)
Weight, g/mol:	408.266445
ΔH_f, kcal/mol:	-104.81
Dipole, Da:	3.55
IP(EA), eV:	-8.19(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(10R,13S)-3-cyclopentyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1(CCC2[C@@]1(CCC3C2CC=C4[C@@H]3CCC(=C4)OC5CCCC5)C)C#C

DOS

IR

Vibrations