Geometry & MOs

Info

ID:	398343
PubChem CID:	135032873
Reduced:	BrNO4H12C15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	256.035814
ΔH_f, kcal/mol:	-41.47
Dipole, Da:	4.09
IP(EA), eV:	-9.53(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-2-phenylthiochromen-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H]2[C@]([C@@H](C3=CC=CC=C3O2)O)([N+](=O)[O-])Br

DOS

IR

Vibrations