Geometry & MOs

Info

ID:	360389
PubChem CID:	127301034
Reduced:	FON6C20H21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	391.167811
ΔH_f, kcal/mol:	31.34
Dipole, Da:	7.46
IP(EA), eV:	-9.31(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,3,4-trimethyl-N-[2-oxo-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=NN(C3=C2CCC3)C4=CC=C(C=C4)F)N5C=NC=N5

DOS

IR

Vibrations