Geometry & MOs

Info

ID:	374805
PubChem CID:	131346864
Reduced:	BrSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	351.85445
ΔH_f, kcal/mol:	-60.69
Dipole, Da:	2.67
IP(EA), eV:	-9.18(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-(bromomethyl)-5-fluoro-4-(trifluoromethoxy)benzene

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C2C(=C1C=O)C=CS2)Br

DOS

IR

Vibrations