Geometry & MOs

Info

ID:	242246
PubChem CID:	96080668
Reduced:	ON6C16H20 (1)
Stoich.:	AB6C16D20 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	31.48
Dipole, Da:	2.55
IP(EA), eV:	-8.82(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-methyl-2-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]pentanamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(=O)N[C@H]2CCN(C2)C3=NC=NC4=C3CCC4

DOS

IR

Vibrations