Geometry & MOs

Info

ID:	238842
PubChem CID:	93165592
Reduced:	N2O3C17H32 (1)
Stoich.:	A2B3C17D32 (1)
Weight, g/mol:	312.241293
ΔH_f, kcal/mol:	-182.45
Dipole, Da:	3.35
IP(EA), eV:	-8.77(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[4-[(2R)-2-ethylpiperidin-1-yl]butanoylamino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)O)C

DOS

IR

Vibrations