Geometry & MOs

Info

ID:	444631
PubChem CID:	135263049
Reduced:	BrZnO2C5H7 (1)
Stoich.:	ABC2D5E7 (1)
Weight, g/mol:	504.03546
ΔH_f, kcal/mol:	-55.26
Dipole, Da:	1.59
IP(EA), eV:	-9.29(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methyl]-2-(2,2-dioxo-1H-4,2lambda6,1-benzoxathiazin-6-yl)acetamide

Drug info:

PubChemData

Smile

COC(=O)[C-]1CC1.[Zn+]Br

DOS

IR

Vibrations