Geometry & MOs

Info

ID:

323625

PubChem CID:

126675611

Reduced:

N5O5C27H27 (1)

Stoich.:

A5B5C27D27 (1)

Weight, g/mol:

545.187461

ΔHf, kcal/mol:

-53.09

Dipole, Da:

5.2

IP(EA), eV:

 -9.99(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-[4-(5-oxo-1,4-dihydroimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=O)NC2(CC2)C#N)NC(=O)C3=CC4=NC=C(N=C4O3)C5=CC=C(C=C5)C6(COC6)O

DOS

IR

Vibrations