Geometry & MOs

Info

ID:	366743
PubChem CID:	127320272
Reduced:	SO2N6C12H18 (1)
Stoich.:	AB2C6D12E18 (1)
Weight, g/mol:	285.125946
ΔH_f, kcal/mol:	-8.27
Dipole, Da:	8.8
IP(EA), eV:	-9.38(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pyrrolidin-1-ylsulfonyl-3-(1,2,4-triazol-1-yl)piperidine

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations