Geometry & MOs

Info

ID:	238757
PubChem CID:	93165424
Reduced:	ON4C17H26 (1)
Stoich.:	AB4C17D26 (1)
Weight, g/mol:	302.166414
ΔH_f, kcal/mol:	-17.96
Dipole, Da:	2.7
IP(EA), eV:	-8.74(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1[C@@H](C2=CC=CC=N2)C(=O)N3CCNCC3

DOS

IR

Vibrations