Geometry & MOs

Info

ID:	373894
PubChem CID:	131321091
Reduced:	ClFSN3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	256.937198
ΔH_f, kcal/mol:	13.45
Dipole, Da:	4.66
IP(EA), eV:	-9.43(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-1-benzothiophene-6-sulfonyl chloride

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CC(C2=NSC=N2)N)F)Cl

DOS

IR

Vibrations