Geometry & MOs

Info

ID:	37602
PubChem CID:	8022551
Reduced:	FSN2O5C15H19 (1)
Stoich.:	ABC2D5E15F19 (1)
Weight, g/mol:	358.099871
ΔH_f, kcal/mol:	-250.7
Dipole, Da:	4.24
IP(EA), eV:	-10.0(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3R)-1-(4-fluorophenyl)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)F

DOS

IR

Vibrations