Geometry & MOs

Info

ID:	37606
PubChem CID:	8022587
Reduced:	SN2O6C17H22 (1)
Stoich.:	AB2C6D17E22 (1)
Weight, g/mol:	381.112033
ΔH_f, kcal/mol:	-238.89
Dipole, Da:	0.63
IP(EA), eV:	-9.62(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[[(3R)-1-(4-acetylphenyl)sulfonylpiperidine-3-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations