Geometry & MOs

Info

ID:	374446
PubChem CID:	131329608
Reduced:	ClOF2N2H9C10 (1)
Stoich.:	ABC2D2E9F10 (1)
Weight, g/mol:	237.005991
ΔH_f, kcal/mol:	-79.92
Dipole, Da:	3.56
IP(EA), eV:	-9.27(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(difluoromethyl)-5-formyl-1-benzothiophene-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1F)F)C(CN)C#N)Cl

DOS

IR

Vibrations