Geometry & MOs

Info

ID:	389001
PubChem CID:	134990858
Reduced:	NF2H17C23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	535.93842
ΔH_f, kcal/mol:	21.76
Dipole, Da:	4.2
IP(EA), eV:	-8.65(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,8R,9S,10R,13S,14S)-2,6-dibromo-6-(bromomethyl)-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)(C3=CC=CC=C3F)N4C=CC=C4

DOS

IR

Vibrations