Geometry & MOs

Info

ID:	55419
PubChem CID:	17395368
Reduced:	SO2N4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	318.121572
ΔH_f, kcal/mol:	68.91
Dipole, Da:	2.24
IP(EA), eV:	-8.71(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1SCC3=NC(=NO3)C4=CC=CC=C4OC

DOS

IR

Vibrations