Geometry & MOs

Info

ID:	59705
PubChem CID:	24894404
Reduced:	O3N4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	306.199508
ΔH_f, kcal/mol:	-28.74
Dipole, Da:	5.78
IP(EA), eV:	-8.83(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,8S,9S,10R,13S,14S,17S)-5-fluoro-17-hydroxy-10,13-dimethyl-4,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[C@@H](C(=O)O)N)C2=CN=C(C=N2)NCC3=COC=C3

DOS

IR

Vibrations