Geometry & MOs

Info

ID:	160994
PubChem CID:	57390467
Reduced:	BrO4H23C28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	502.07797
ΔH_f, kcal/mol:	-70.64
Dipole, Da:	3.55
IP(EA), eV:	-8.69(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2,4,6,10(29),11,13(28),15,17,19(27),22,25-dodecaene-3,16,24-triol

Drug info:

PubChemData

Smile

C1CC2=C(C(=CC(=C2)Br)O)OC3=CC=CC(=C3)CCC4=CC(=C(C=C4)O)OC5=CC=C1C=C5

DOS

IR

Vibrations