Geometry & MOs

Info

ID:	307133
PubChem CID:	125270004
Reduced:	O4N6C15H26 (1)
Stoich.:	A4B6C15D26 (1)
Weight, g/mol:	270.121572
ΔH_f, kcal/mol:	-144.39
Dipole, Da:	5.61
IP(EA), eV:	-9.76(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-methyl-2-[3-(3-oxo-1,2-oxazol-5-yl)propanoylamino]pentanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@H](CC1=NC=NC1)C(=O)N[C@H](CCCCN)C(=O)O)N

DOS

IR

Vibrations