Geometry & MOs

Info

ID:	211475
PubChem CID:	81044017
Reduced:	SN2O3C13H26 (1)
Stoich.:	AB2C3D13E26 (1)
Weight, g/mol:	272.173607
ΔH_f, kcal/mol:	-167.79
Dipole, Da:	5.13
IP(EA), eV:	-9.09(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)NCCCS(=O)(=O)C)C1CCCNC1

DOS

IR

Vibrations