Geometry & MOs

Info

ID:	35901
PubChem CID:	7980468
Reduced:	ClNO6H16C20 (1)
Stoich.:	ABC6D16E20 (1)
Weight, g/mol:	356.083078
ΔH_f, kcal/mol:	-182.04
Dipole, Da:	4.45
IP(EA), eV:	-10.02(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]acetate

Drug info:

PubChemData

Smile

COCCNC(=O)COC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)Cl

DOS

IR

Vibrations