Geometry & MOs

Info

ID:	218296
PubChem CID:	85089141
Reduced:	BrN3O7C16H20 (1)
Stoich.:	AB3C7D16E20 (1)
Weight, g/mol:	446.07542
ΔH_f, kcal/mol:	-206.08
Dipole, Da:	0.37
IP(EA), eV:	-9.56(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-16-iodo-11-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Drug info:

PubChemData

Smile

COC12C(C3=C(N1CC4C2N4)C(=O)C(C(C3=O)(OC)OC)Br)COC(=O)N

DOS

IR

Vibrations