Geometry & MOs

Info

ID:

323514

PubChem CID:

126675092

Reduced:

SF2N3O6H27C29 (1)

Stoich.:

AB2C3D6E27F29 (1)

Weight, g/mol:

504.172145

ΔHf, kcal/mol:

-240.06

Dipole, Da:

5.0

IP(EA), eV:

 -9.87(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-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)C6(CS(=O)(=O)C6)O

DOS

IR

Vibrations