Geometry & MOs

Info

ID:	366736
PubChem CID:	127320265
Reduced:	SO3N5C13H23 (1)
Stoich.:	AB3C5D13E23 (1)
Weight, g/mol:	374.177647
ΔH_f, kcal/mol:	-88.94
Dipole, Da:	2.59
IP(EA), eV:	-9.76(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclohexylphenyl)sulfonyl-3-(1,2,4-triazol-1-yl)piperidine

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations