Geometry & MOs

Info

ID:	37605
PubChem CID:	8022577
Reduced:	SN2O6C16H22 (1)
Stoich.:	AB2C6D16E22 (1)
Weight, g/mol:	382.119858
ΔH_f, kcal/mol:	-241.0
Dipole, Da:	13.14
IP(EA), eV:	-9.81(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3S)-1-(4-acetylphenyl)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