Geometry & MOs

Info

ID:

323504

PubChem CID:

126675055

Reduced:

SF2N3O6H29C30 (1)

Stoich.:

AB2C3D6E29F30 (1)

Weight, g/mol:

548.099969

ΔHf, kcal/mol:

-226.92

Dipole, Da:

7.32

IP(EA), eV:

 -9.68(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-(2-methylsulfonyl-1,3-thiazol-4-yl)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C=C(O3)C(=O)NC4(CCC(CC4)(F)F)C(=O)NC5(CC5)C#N)S(=O)(=O)C6CC6

DOS

IR

Vibrations