Geometry & MOs

Info

ID:	219520
PubChem CID:	85149083
Reduced:	BrF3N3O6H17C22 (1)
Stoich.:	AB3C3D6E17F22 (1)
Weight, g/mol:	556.215591
ΔH_f, kcal/mol:	-332.74
Dipole, Da:	6.57
IP(EA), eV:	-9.76(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(25,26-diacetyloxy-2,5,8,15,18,21,23-heptaoxatricyclo[20.2.2.09,14]hexacosa-9,11,13-trien-24-yl)methyl acetate

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC(=NC=C5N=C4C3=C2)Br)C)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations