Geometry & MOs

Info

ID:	37612
PubChem CID:	8022602
Reduced:	SN2O5C15H19 (1)
Stoich.:	AB2C5D15E19 (1)
Weight, g/mol:	340.109293
ΔH_f, kcal/mol:	-141.18
Dipole, Da:	3.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.782587
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)[O-])NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations