Geometry & MOs

Info

ID:	238893
PubChem CID:	93165685
Reduced:	ON4C18H28 (1)
Stoich.:	AB4C18D28 (1)
Weight, g/mol:	316.182064
ΔH_f, kcal/mol:	-20.34
Dipole, Da:	3.65
IP(EA), eV:	-8.85(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propanoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)[C@@H](C2=CC=CC=N2)C(=O)N3CCNCC3)C

DOS

IR

Vibrations