Geometry & MOs

Info

ID:	444695
PubChem CID:	135263275
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	283.051444
ΔH_f, kcal/mol:	-78.74
Dipole, Da:	4.32
IP(EA), eV:	-9.18(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2,2-dioxo-1H-4,2lambda6,1-benzoxathiazin-6-yl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1COCC=C1C(CC2=CN(C3=CC=CC=C32)C(=O)O)N

DOS

IR

Vibrations