Geometry & MOs

Info

ID:

323512

PubChem CID:

126675078

Reduced:

SF2N3O6C30H31 (1)

Stoich.:

AB2C3D6E30F31 (1)

Weight, g/mol:

612.185412

ΔHf, kcal/mol:

-251.14

Dipole, Da:

9.05

IP(EA), eV:

 -8.89(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-(4-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)C=C(O3)C(=O)NC4(CCC(CC4)(F)F)C(=O)NC5(CC5)C#N

DOS

IR

Vibrations