Geometry & MOs

Info

ID:	372968
PubChem CID:	131307665
Reduced:	BrClNSO2H5C9 (1)
Stoich.:	ABCDE2F5G9 (1)
Weight, g/mol:	309.90302
ΔH_f, kcal/mol:	29.22
Dipole, Da:	4.68
IP(EA), eV:	-9.4(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-5-chloro-6-(difluoromethyl)-1-benzothiophene

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=C(C(=C2)CBr)Cl)[N+](=O)[O-]

DOS

IR

Vibrations