Geometry & MOs

Info

ID:

323515

PubChem CID:

126675143

Reduced:

F2O3N6H22C26 (1)

Stoich.:

A2B3C6D22E26 (1)

Weight, g/mol:

613.205813

ΔHf, kcal/mol:

-65.92

Dipole, Da:

6.2

IP(EA), eV:

 -9.95(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-[4-(3-ethylsulfonylpropoxy)phenyl]-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=NN6C=C5

DOS

IR

Vibrations