Geometry & MOs

Info

ID:	286212
PubChem CID:	104162129
Reduced:	NSO4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	297.059028
ΔH_f, kcal/mol:	-152.18
Dipole, Da:	2.19
IP(EA), eV:	-9.54(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chlorohexyl)-1,3-benzothiazine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)OC(=O)CN1C(=O)C2=CC=CC=C2SC1=O

DOS

IR

Vibrations