Geometry & MOs

Info

ID:	238853
PubChem CID:	93165609
Reduced:	N2O3C17H32 (1)
Stoich.:	A2B3C17D32 (1)
Weight, g/mol:	312.241293
ΔH_f, kcal/mol:	-185.5
Dipole, Da:	6.85
IP(EA), eV:	-9.25(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-[[2,2-dimethyl-3-[(3S)-3-methylpiperidin-1-yl]propanoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations