Geometry & MOs

Info

ID:

323683

PubChem CID:

126675728

Reduced:

SF2N3O5H25C28 (1)

Stoich.:

AB2C3D5E25F28 (1)

Weight, g/mol:

537.153384

ΔHf, kcal/mol:

-207.07

Dipole, Da:

5.25

IP(EA), eV:

 -9.9(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-(1-oxo-2,3-dihydro-1-benzothiophen-5-yl)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C2=C1C=C(C=C2)C3=CC4=C(C=C3)C=C(O4)C(=O)NC5(CCC(CC5)(F)F)C(=O)NC6(CC6)C#N

DOS

IR

Vibrations