Geometry & MOs

Info

ID:	375297
PubChem CID:	131485339
Reduced:	ClFSO3C10H10 (1)
Stoich.:	ABCD3E10F10 (1)
Weight, g/mol:	199.063329
ΔH_f, kcal/mol:	-140.2
Dipole, Da:	4.87
IP(EA), eV:	-9.78(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-acetyl-1-benzofuran-5-yl)acetonitrile

Drug info:

PubChemData

Smile

C1CC(C1)OC2=C(C=CC(=C2)S(=O)(=O)Cl)F

DOS

IR

Vibrations