Geometry & MOs

Info

ID:	137716
PubChem CID:	52248915
Reduced:	SN2O3C18H28 (1)
Stoich.:	AB2C3D18E28 (1)
Weight, g/mol:	359.269853
ΔH_f, kcal/mol:	-126.31
Dipole, Da:	8.73
IP(EA), eV:	-8.69(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(2,5-dimethylphenyl)-N-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations