Geometry & MOs

Info

ID:	286211
PubChem CID:	104161488
Reduced:	ClNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	279.056529
ΔH_f, kcal/mol:	-104.86
Dipole, Da:	4.77
IP(EA), eV:	-8.85(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(2,4-dioxo-1,3-benzothiazin-3-yl)acetate

Drug info:

PubChemData

Smile

CC(CCC(=O)NC1=C(C=C(C=C1)Cl)C#CCCO)OC

DOS

IR

Vibrations