Geometry & MOs

Info

ID:	284601
PubChem CID:	104054947
Reduced:	ClSO2N3H12C14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	345.984877
ΔH_f, kcal/mol:	-11.76
Dipole, Da:	3.95
IP(EA), eV:	-8.5(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-4-cyanophenyl)sulfonylamino]thiolane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C#N)Cl)N

DOS

IR

Vibrations