Geometry & MOs

Info

ID:	373256
PubChem CID:	131312294
Reduced:	ClOSF2H5C10 (1)
Stoich.:	ABCD2E5F10 (1)
Weight, g/mol:	245.97177
ΔH_f, kcal/mol:	-99.82
Dipole, Da:	4.21
IP(EA), eV:	-9.3(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(difluoromethyl)-1-benzothiophene-4-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)C(=C(S2)C=O)C(F)F

DOS

IR

Vibrations