Geometry & MOs

Info

ID:	204641
PubChem CID:	79991591
Reduced:	S2Br3H7C10 (1)
Stoich.:	A2B3C7D10 (1)
Weight, g/mol:	441.78604
ΔH_f, kcal/mol:	57.97
Dipole, Da:	1.1
IP(EA), eV:	-9.2(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[bromo-(3-bromo-5-fluorophenyl)methyl]-3-methylthiophene

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(C2=C(C=CS2)Br)Br)Br

DOS

IR

Vibrations