Geometry & MOs

Info

ID:	403833
PubChem CID:	135062073
Reduced:	FSO3H19C22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	446.148929
ΔH_f, kcal/mol:	-90.02
Dipole, Da:	4.75
IP(EA), eV:	-9.68(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-fluoro-3-oxo-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]butanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](CC(=O)C2=CC=CC=C2)[C@H](F)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations