Geometry & MOs

Info

ID:	302747
PubChem CID:	124394324
Reduced:	OSCl3N4C22H23 (1)
Stoich.:	ABC3D4E22F23 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	9.27
Dipole, Da:	8.02
IP(EA), eV:	-8.89(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(3S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)[C@H](C(C)C)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations