Geometry & MOs

Info

ID:	199229
PubChem CID:	79220866
Reduced:	NS2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	334.0027
ΔH_f, kcal/mol:	28.6
Dipole, Da:	3.71
IP(EA), eV:	-8.53(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(bromomethyl)phenoxy]methyl]-2,3-dihydro-1-benzothiophene

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2S1)CC(=S)N

DOS

IR

Vibrations