Geometry & MOs

Info

ID:

323607

PubChem CID:

126675571

Reduced:

F2N3O5H27C28 (1)

Stoich.:

A2B3C5D27E28 (1)

Weight, g/mol:

525.207527

ΔHf, kcal/mol:

-215.75

Dipole, Da:

6.4

IP(EA), eV:

 -9.6(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[(1-cyanocyclopropyl)amino]-hydroxymethyl]-4,4-difluorocyclohexyl]-6-[4-(1,2-dihydroxyethyl)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=CC=C(C=C5)C(CO)O

DOS

IR

Vibrations