Geometry & MOs

Info

ID:	37603
PubChem CID:	8022565
Reduced:	FSN2O5C15H19 (1)
Stoich.:	ABC2D5E15F19 (1)
Weight, g/mol:	369.112033
ΔH_f, kcal/mol:	-247.75
Dipole, Da:	5.56
IP(EA), eV:	-10.35(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCC(=O)O

DOS

IR

Vibrations