Geometry & MOs

Info

ID:	398543
PubChem CID:	135033757
Reduced:	BrFNOSH13C16 (1)
Stoich.:	ABCDEF13G16 (1)
Weight, g/mol:	314.06128
ΔH_f, kcal/mol:	-20.71
Dipole, Da:	4.0
IP(EA), eV:	-9.17(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-7-methoxy-3-(4-methylphenyl)sulfanylchromen-2-one

Drug info:

PubChemData

Smile

CS/C(=C/C(=O)C1=CC=C(C=C1)Br)/NC2=CC(=CC=C2)F

DOS

IR

Vibrations