Geometry & MOs

Info

ID:	146576
PubChem CID:	53706801
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	434.210467
ΔH_f, kcal/mol:	-18.76
Dipole, Da:	6.5
IP(EA), eV:	-9.31(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-acetyloxy-9-fluoro-11-hydroxy-1,10,13,16-tetramethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NN=CC=C2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations