Geometry & MOs

Info

ID:	37604
PubChem CID:	8022576
Reduced:	SN2O6C16H21 (1)
Stoich.:	AB2C6D16E21 (1)
Weight, g/mol:	370.119858
ΔH_f, kcal/mol:	-178.37
Dipole, Da:	12.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769528
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-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=C(C=C2)OC

DOS

IR

Vibrations