Geometry & MOs

Info

ID:

311343

PubChem CID:

126590563

Reduced:

SO3N4C26H32 (1)

Stoich.:

AB3C4D26E32 (1)

Weight, g/mol:

545.185666

ΔHf, kcal/mol:

-58.35

Dipole, Da:

6.8

IP(EA), eV:

 -8.81(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-[[4-(2,6-dimethoxyphenyl)-5-(2-methoxypyridin-4-yl)-1,2,4-triazol-3-yl]sulfamoyl]-N'-[(E)-2-fluoroprop-1-enyl]-N-methylidenebutanimidamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(N3CCN(CC3)C4=CC=NC=C4)O

DOS

IR

Vibrations