Geometry & MOs

Info

ID:	358075
PubChem CID:	127295620
Reduced:	ClSN2O4C17H23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	312.161997
ΔH_f, kcal/mol:	-142.76
Dipole, Da:	5.0
IP(EA), eV:	-8.69(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]piperidine

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)S(=O)(=O)C3=C(C=C4C(=C3)OCCO4)Cl

DOS

IR

Vibrations