Geometry & MOs

Info

ID:	310381
PubChem CID:	126579494
Reduced:	SF2N3O3H11C12 (1)
Stoich.:	AB2C3D3E11F12 (1)
Weight, g/mol:	529.210738
ΔH_f, kcal/mol:	-113.86
Dipole, Da:	3.83
IP(EA), eV:	-9.25(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2,6-dimethoxyphenyl)-5-(2-methylpyridin-4-yl)-1,2,4-triazol-3-yl]-2-[(6S)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)SC(F)F)COC2=NN(C=C2)O)C(=O)N

DOS

IR

Vibrations