Geometry & MOs

Info

ID:	122831
PubChem CID:	50823335
Reduced:	ClS2O3N4C19H19 (1)
Stoich.:	AB2C3D4E19F19 (1)
Weight, g/mol:	283.095691
ΔH_f, kcal/mol:	19.18
Dipole, Da:	7.33
IP(EA), eV:	-8.25(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methylpyridin-2-yl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NO2)C3=CSC(=C3)S(=O)(=O)N4CCN(CC4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations