Geometry & MOs

Info

ID:	238852
PubChem CID:	93165606
Reduced:	N2O3C17H32 (1)
Stoich.:	A2B3C17D32 (1)
Weight, g/mol:	312.241293
ΔH_f, kcal/mol:	-173.17
Dipole, Da:	3.97
IP(EA), eV:	-8.68(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-methylbutanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)C

DOS

IR

Vibrations