Geometry & MOs

Info

ID:	48590
PubChem CID:	11108879
Reduced:	BrF3O3H4C8 (1)
Stoich.:	AB3C3D4E8 (1)
Weight, g/mol:	290.188195
ΔH_f, kcal/mol:	-255.72
Dipole, Da:	6.1
IP(EA), eV:	-10.44(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,7S,9S,10S,12S,14S)-9-hydroxy-2,6,10,12-tetramethyl-13-oxatetracyclo[8.5.0.02,7.012,14]pentadec-5-en-11-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)C(=O)O)OC(F)(F)F

DOS

IR

Vibrations