Geometry & MOs

Info

ID:	372863
PubChem CID:	131306160
Reduced:	NSF3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	254.053214
ΔH_f, kcal/mol:	-134.44
Dipole, Da:	4.89
IP(EA), eV:	-8.51(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(chloromethyl)-5-ethoxy-4-ethyl-1-benzothiophene

Drug info:

PubChemData

Smile

CCC1=C(C=CC2=C1SC=C2C(F)(F)F)N

DOS

IR

Vibrations