Geometry & MOs

Info

ID:	191319
PubChem CID:	78130747
Reduced:	NO4C16H25 (1)
Stoich.:	AB4C16D25 (1)
Weight, g/mol:	467.138916
ΔH_f, kcal/mol:	-107.23
Dipole, Da:	3.83
IP(EA), eV:	-10.55(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-methyl-3-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]-4aH-quinazolin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)C=CC1(CCCCCCCCCCC1=O)[N+](=O)[O-]

DOS

IR

Vibrations