Geometry & MOs

Info

ID:

323642

PubChem CID:

126675641

Reduced:

SN3O5C28H29 (1)

Stoich.:

AB3C5D28E29 (1)

Weight, g/mol:

546.18271

ΔHf, kcal/mol:

-98.85

Dipole, Da:

6.28

IP(EA), eV:

 -9.61(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)C=C(O3)C(=O)NC4(CCCCCC4)C(=O)NC5(CC5)C#N

DOS

IR

Vibrations