Geometry & MOs

Info

ID:	37601
PubChem CID:	8022549
Reduced:	ON4C10H22 (1)
Stoich.:	AB4C10D22 (1)
Weight, g/mol:	358.099871
ΔH_f, kcal/mol:	-43.67
Dipole, Da:	2.43
IP(EA), eV:	-8.85(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)CN1CCNCC1

DOS

IR

Vibrations