Geometry & MOs

Info

ID:	56836
PubChem CID:	22394327
Reduced:	ClSO3N4H23C27 (1)
Stoich.:	ABC3D4E23F27 (1)
Weight, g/mol:	259.90621
ΔH_f, kcal/mol:	40.15
Dipole, Da:	3.97
IP(EA), eV:	-8.71(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-6-chloro-1-benzothiophene

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=CC=NC=C2)C(=O)C3=CC4=CC=CC=C4N3CC5=NOC(=C5)C6=CC=C(S6)Cl

DOS

IR

Vibrations