Geometry & MOs

Info

ID:	238841
PubChem CID:	93165591
Reduced:	N2O3C17H32 (1)
Stoich.:	A2B3C17D32 (1)
Weight, g/mol:	312.241293
ΔH_f, kcal/mol:	-178.53
Dipole, Da:	4.18
IP(EA), eV:	-8.68(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H](N1C(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)O)C

DOS

IR

Vibrations