Geometry & MOs

Info

ID:	26101
PubChem CID:	638453
Reduced:	BrO2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	292.131074
ΔH_f, kcal/mol:	-35.07
Dipole, Da:	2.86
IP(EA), eV:	-9.28(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)[C@@H](C2=CC=CC=C2)O)Br

DOS

IR

Vibrations