Geometry & MOs

Info

ID:	372772
PubChem CID:	131304317
Reduced:	ClF3O3H6C9 (1)
Stoich.:	AB3C3D6E9 (1)
Weight, g/mol:	296.92815
ΔH_f, kcal/mol:	-282.05
Dipole, Da:	2.26
IP(EA), eV:	-10.09(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-7-methylsulfanyl-1-benzothiophene-3-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1Cl)C(F)(F)F)O

DOS

IR

Vibrations