Geometry & MOs

Info

ID:	133791
PubChem CID:	51589363
Reduced:	FN4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	306.157957
ΔH_f, kcal/mol:	29.48
Dipole, Da:	4.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.054183
Charge, e:	0

Chem-info

IUPAC name:

[2-(methylamino)-2-oxoethyl] (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC=C3[C@H]4CC[C@H]([NH+]4CC5=CC=CC=C5F)CC3=N2

DOS

IR

Vibrations