Geometry & MOs

Info

ID:	373956
PubChem CID:	131321692
Reduced:	ClSN2O2C9H9 (1)
Stoich.:	ABC2D2E9F9 (1)
Weight, g/mol:	245.97177
ΔH_f, kcal/mol:	-34.73
Dipole, Da:	8.35
IP(EA), eV:	-10.03(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-6-(difluoromethyl)-1-benzothiophene-4-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C#N)S(=O)(=O)Cl)CN

DOS

IR

Vibrations