Geometry & MOs

Info

ID:	356440
PubChem CID:	127291513
Reduced:	SO2N4C11H18 (1)
Stoich.:	AB2C4D11E18 (1)
Weight, g/mol:	391.086974
ΔH_f, kcal/mol:	-21.21
Dipole, Da:	11.0
IP(EA), eV:	-9.56(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]sulfonylbenzonitrile

Drug info:

PubChemData

Smile

CN1C=NN=C1C2CCCN(C2)S(=O)(=O)C3CC3

DOS

IR

Vibrations