Geometry & MOs

Info

ID:	372820
PubChem CID:	131305398
Reduced:	BrISF2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	241.032813
ΔH_f, kcal/mol:	-50.58
Dipole, Da:	1.18
IP(EA), eV:	-8.99(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(chloromethyl)-4-ethoxy-1-benzothiophen-2-amine

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C(=CS2)CBr)C(F)F)I

DOS

IR

Vibrations