Geometry & MOs

Info

ID:	238896
PubChem CID:	93165694
Reduced:	SN2O3C15H28 (1)
Stoich.:	AB2C3D15E28 (1)
Weight, g/mol:	316.182064
ΔH_f, kcal/mol:	-162.73
Dipole, Da:	3.78
IP(EA), eV:	-8.84(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-methyl-2-[(2R)-2-methylpiperidin-1-yl]propanoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations