Geometry & MOs

Info

ID:

437187

PubChem CID:

135215615

Reduced:

ON2H44C70 (1)

Stoich.:

AB2C44D70 (1)

Weight, g/mol:

436.078759

ΔHf, kcal/mol:

367.85

Dipole, Da:

3.52

IP(EA), eV:

 -8.57(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(cyanomethyl)-N-(1-cyclopropyl-2-fluoroethyl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxobenzimidazole-5-sulfonamide

Drug info:

PubChemData

Smile

C1CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC(=C3)C4=C5C(=CC=C4)C6(C7=C5C8=C(C=C7)C9=CC=CC=C9O8)C1=CC=CC=C1C1(C2=CC=CC=C2C2=CC=CC=C21)C1=CC=CC=C61)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations