Geometry & MOs

Info

ID:	44236
PubChem CID:	10502120
Reduced:	F3O3C24H25 (1)
Stoich.:	A3B3C24D25 (1)
Weight, g/mol:	418.210387
ΔH_f, kcal/mol:	-208.54
Dipole, Da:	2.78
IP(EA), eV:	-9.23(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-[1-[(1-methoxy-1,3-dioxobutan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCC[C@@H]([C@@H](C#CCOCC1=CC=CC=C1)C(F)(F)F)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations