Geometry & MOs

Info

ID:

323503

PubChem CID:

126675050

Reduced:

F2O3N5H23C27 (1)

Stoich.:

A2B3C5D23E27 (1)

Weight, g/mol:

597.174513

ΔHf, kcal/mol:

-89.18

Dipole, Da:

3.25

IP(EA), eV:

 -9.24(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-(4-cyclopropylsulfonyl-3-methoxyphenyl)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1(C#N)NC(=O)C2(CCC(CC2)(F)F)NC(=O)C3=CC4=C(O3)C=C(C=C4)C5=CC6=NC=CN6C=C5

DOS

IR

Vibrations