Geometry & MOs

Info

ID:	238894
PubChem CID:	93165689
Reduced:	SN2O3C15H28 (1)
Stoich.:	AB2C3D15E28 (1)
Weight, g/mol:	316.182064
ΔH_f, kcal/mol:	-169.45
Dipole, Da:	5.84
IP(EA), eV:	-8.71(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations