Geometry & MOs

Info

ID:	238897
PubChem CID:	93165695
Reduced:	SN2O3C15H28 (1)
Stoich.:	AB2C3D15E28 (1)
Weight, g/mol:	316.182064
ΔH_f, kcal/mol:	-166.61
Dipole, Da:	4.83
IP(EA), eV:	-8.96(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-[(3S)-3-methylpiperidin-1-yl]butanoylamino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1C(C)(C)C(=O)N[C@@H](CCSC)C(=O)O

DOS

IR

Vibrations