Geometry & MOs

Info

ID:	181398
PubChem CID:	76743050
Reduced:	OF2N3C7H7 (1)
Stoich.:	AB2C3D7E7 (1)
Weight, g/mol:	556.222094
ΔH_f, kcal/mol:	-68.74
Dipole, Da:	3.72
IP(EA), eV:	-8.86(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 1-[3-fluoro-5-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]benzoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1F)N)F)C(=NO)N

DOS

IR

Vibrations