Geometry & MOs

Info

ID:	61504
PubChem CID:	26710043
Reduced:	SN2O5C22H32 (1)
Stoich.:	AB2C5D22E32 (1)
Weight, g/mol:	476.093949
ΔH_f, kcal/mol:	-233.33
Dipole, Da:	3.21
IP(EA), eV:	-9.22(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

DOS

IR

Vibrations