Geometry & MOs

Info

ID:	373255
PubChem CID:	131312285
Reduced:	ClSN2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	245.97177
ΔH_f, kcal/mol:	46.75
Dipole, Da:	0.57
IP(EA), eV:	-9.0(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-(difluoromethyl)-1-benzothiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

CSC1=CC(=CC(=C1)C(C#N)N)Cl

DOS

IR

Vibrations