Geometry & MOs

Info

ID:	288898
PubChem CID:	104327945
Reduced:	BrFOSH10C16 (1)
Stoich.:	ABCDE10F16 (1)
Weight, g/mol:	350.03177
ΔH_f, kcal/mol:	-17.13
Dipole, Da:	0.69
IP(EA), eV:	-9.05(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-methoxy-3,6-dimethylphenyl)-(4-fluoro-2-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)C2=CSC3=C2C=CC=C3Br

DOS

IR

Vibrations