Geometry & MOs

Info

ID:	394609
PubChem CID:	135023283
Reduced:	F3O3H13C15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	406.211965
ΔH_f, kcal/mol:	-246.04
Dipole, Da:	7.06
IP(EA), eV:	-9.57(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,13S)-13-methyl-3-[(E)-6,6,6-trifluorohex-3-enoxy]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=O)O2)OCC/C=C/CC(F)(F)F

DOS

IR

Vibrations