Geometry & MOs

Info

ID:	202865
PubChem CID:	79735196
Reduced:	BrFOSH10C13 (1)
Stoich.:	ABCDE10F13 (1)
Weight, g/mol:	363.83914
ΔH_f, kcal/mol:	-35.76
Dipole, Da:	5.31
IP(EA), eV:	-9.5(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-fluorophenyl)-(3-bromothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(=O)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations