Geometry & MOs

Info

ID:	61503
PubChem CID:	26710037
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	436.203193
ΔH_f, kcal/mol:	-102.22
Dipole, Da:	8.2
IP(EA), eV:	-8.64(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=CC=C1N2CCCC2=O)S(=O)(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations