Geometry & MOs

Info

ID:	207499
PubChem CID:	80404902
Reduced:	ClSO2N4H9C12 (1)
Stoich.:	ABC2D4E9F12 (1)
Weight, g/mol:	300.033541
ΔH_f, kcal/mol:	-1.12
Dipole, Da:	8.82
IP(EA), eV:	-9.17(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-nitro-N-(thiolan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)NS(=O)(=O)C2=CN=C(C=C2)N)Cl

DOS

IR

Vibrations