Geometry & MOs

Info

ID:	373670
PubChem CID:	131318541
Reduced:	BrOF3H3N3C7 (1)
Stoich.:	ABC3D3E3F7 (1)
Weight, g/mol:	257.993985
ΔH_f, kcal/mol:	-133.24
Dipole, Da:	5.54
IP(EA), eV:	-9.6(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-5-methoxy-6-methylsulfanyl-1-benzothiophene

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)N)Br)C#N)OC(F)(F)F

DOS

IR

Vibrations