Geometry & MOs

Info

ID:	37609
PubChem CID:	8022593
Reduced:	NSO5C14H17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	382.119858
ΔH_f, kcal/mol:	-184.96
Dipole, Da:	9.56
IP(EA), eV:	-10.19(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)O

DOS

IR

Vibrations