Geometry & MOs

Info

ID:	227474
PubChem CID:	87561819
Reduced:	ClO2N4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	357.8386
ΔH_f, kcal/mol:	-26.78
Dipole, Da:	5.76
IP(EA), eV:	-9.18(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-1-benzothiophene-3-sulfonyl chloride

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC(=NC3=C2OC=C3)Cl)C(=O)N

DOS

IR

Vibrations