Geometry & MOs

Info

ID:	37611
PubChem CID:	8022601
Reduced:	SN2O6C19H26 (1)
Stoich.:	AB2C6D19E26 (1)
Weight, g/mol:	339.101468
ΔH_f, kcal/mol:	-248.63
Dipole, Da:	10.57
IP(EA), eV:	-9.83(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-2-[[(3R)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)O)NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations