Geometry & MOs

Info

ID:	373912
PubChem CID:	131321242
Reduced:	BrSO2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	299.98196
ΔH_f, kcal/mol:	-47.06
Dipole, Da:	4.26
IP(EA), eV:	-8.35(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-4-ethoxy-5-methoxy-1-benzothiophene

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)C=C(S2)CBr)OC

DOS

IR

Vibrations