Geometry & MOs

Info

ID:	447298
PubChem CID:	135281813
Reduced:	FN3O5C28H36 (1)
Stoich.:	AB3C5D28E36 (1)
Weight, g/mol:	293.126323
ΔH_f, kcal/mol:	-235.86
Dipole, Da:	6.12
IP(EA), eV:	-8.94(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-4-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1C(=O)NC2=C(C=CC(=C2)C(CCC3CC3)N4C=CC=CC4=O)F)OC

DOS

IR

Vibrations