Geometry & MOs

Info

ID:	51065
PubChem CID:	12013683
Reduced:	BrOH15C18 (1)
Stoich.:	ABC15D18 (1)
Weight, g/mol:	344.02121
ΔH_f, kcal/mol:	16.95
Dipole, Da:	3.74
IP(EA), eV:	-9.16(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4Z,6R)-4-(bromomethylidene)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene

Drug info:

PubChemData

Smile

C\1[C@H]2[C@@H](C3=CC=CC=C3CC4=CC=CC=C24)O/C1=C\Br

DOS

IR

Vibrations