Geometry & MOs

Info

ID:	14052
PubChem CID:	402825
Reduced:	ClSN2O2H11C13 (1)
Stoich.:	ABC2D2E11F13 (1)
Weight, g/mol:	294.022977
ΔH_f, kcal/mol:	-15.96
Dipole, Da:	3.53
IP(EA), eV:	-9.41(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3,5-dimethyl-1,1-dioxo-2-phenylthiazine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(S(=O)(=O)N(C(=C1C#N)C)C2=CC=CC=C2)Cl

DOS

IR

Vibrations