Geometry & MOs

Info

ID:	238807
PubChem CID:	93165536
Reduced:	OSN3C16H25 (1)
Stoich.:	ABC3D16E25 (1)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-22.38
Dipole, Da:	3.75
IP(EA), eV:	-9.0(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[5-methyl-4-[[(3S)-3-methylpiperidin-1-yl]methyl]furan-2-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1[C@@H](C2=CC=CS2)C(=O)N3CCNCC3

DOS

IR

Vibrations