Geometry & MOs

Info

ID:	373580
PubChem CID:	131317495
Reduced:	BrON2F4H5C7 (1)
Stoich.:	ABC2D4E5F7 (1)
Weight, g/mol:	303.89604
ΔH_f, kcal/mol:	-225.81
Dipole, Da:	4.41
IP(EA), eV:	-9.13(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-(chloromethyl)-1-benzothiophene-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C(=NC(=C1OC(F)(F)F)Br)CF)N

DOS

IR

Vibrations