Geometry & MOs

Info

ID:	288897
PubChem CID:	104327942
Reduced:	FOSBr2H7C12 (1)
Stoich.:	ABCD2E7F12 (1)
Weight, g/mol:	347.96198
ΔH_f, kcal/mol:	-22.6
Dipole, Da:	1.72
IP(EA), eV:	-9.69(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-bromo-1-benzothiophen-3-yl)-(4-fluoro-2-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)C2=CC(=C(S2)Br)Br

DOS

IR

Vibrations