Geometry & MOs

Info

ID:	375168
PubChem CID:	131472745
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	300.94083
ΔH_f, kcal/mol:	-100.2
Dipole, Da:	5.33
IP(EA), eV:	-8.88(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-7-methoxy-4-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C=C(S2)CC(=O)O)O)CBr

DOS

IR

Vibrations