Geometry & MOs

Info

ID:	68283
PubChem CID:	46508113
Reduced:	SO2F3N5C22H28 (1)
Stoich.:	AB2C3D5E22F28 (1)
Weight, g/mol:	351.121906
ΔH_f, kcal/mol:	-193.02
Dipole, Da:	8.69
IP(EA), eV:	-9.08(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-2-oxo-1-phenylethyl) 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)CCC2=NC(=NN2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4

DOS

IR

Vibrations