Geometry & MOs

Info

ID:	372579
PubChem CID:	131300133
Reduced:	BrSO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	306.91142
ΔH_f, kcal/mol:	-27.25
Dipole, Da:	5.23
IP(EA), eV:	-8.81(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-7-(difluoromethyl)-5-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

CCOC1=C(C2=C(C=C1)C=C(S2)C=O)Br

DOS

IR

Vibrations