Geometry & MOs

Info

ID:	373347
PubChem CID:	131313651
Reduced:	ClISO2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	303.93243
ΔH_f, kcal/mol:	-37.89
Dipole, Da:	4.6
IP(EA), eV:	-9.26(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-5-(chloromethyl)-6-ethoxy-1-benzothiophene

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC(=C2CCl)I)C(=O)O

DOS

IR

Vibrations