Geometry & MOs

Info

ID:	238848
PubChem CID:	93165599
Reduced:	N2O3C17H32 (1)
Stoich.:	A2B3C17D32 (1)
Weight, g/mol:	312.241293
ΔH_f, kcal/mol:	-181.26
Dipole, Da:	5.05
IP(EA), eV:	-8.77(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-methyl-2-[[(2R)-3-methyl-2-[(3S)-3-methylpiperidin-1-yl]butanoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations