Geometry & MOs

Info

ID:	77920
PubChem CID:	49674568
Reduced:	N2O3H20C24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	398.010361
ΔH_f, kcal/mol:	-42.57
Dipole, Da:	1.99
IP(EA), eV:	-8.97(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-1,1-dioxo-1lambda6,4-benzothiazine-2-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OCC4=CC=CC=N4

DOS

IR

Vibrations