Geometry & MOs

Info

ID:	25779
PubChem CID:	630534
Reduced:	B3O5C17H17 (1)
Stoich.:	A3B5C17D17 (1)
Weight, g/mol:	334.194423
ΔH_f, kcal/mol:	-360.33
Dipole, Da:	4.89
IP(EA), eV:	-9.24(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluoro-13-methyl-6-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate

Drug info:

PubChemData

Smile

B1(OB(OB(O1)OC(=CC(=O)C)C)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations