Geometry & MOs

Info

ID:	238758
PubChem CID:	93165426
Reduced:	SN2O3C14H26 (1)
Stoich.:	AB2C3D14E26 (1)
Weight, g/mol:	302.166414
ΔH_f, kcal/mol:	-159.29
Dipole, Da:	4.05
IP(EA), eV:	-9.12(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations