Geometry & MOs

Info

ID:

323501

PubChem CID:

126675042

Reduced:

N6O10C19H38 (1)

Stoich.:

A6B10C19D38 (1)

Weight, g/mol:

558.219095

ΔHf, kcal/mol:

-445.61

Dipole, Da:

5.83

IP(EA), eV:

 -9.07(0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(1-cyanocyclopropyl)carbamoyl]-4,4-difluorocyclohexyl]-6-[3-ethyl-4-(1,2,4-triazol-1-yl)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1[C@H](C(C([C@H](O1)O[C@@H]2C(C[C@H](C(C2O[C@H]3C(C([C@H](O3)CN=C(N)N)O)O)O)N)N)N)O)O)O

DOS

IR

Vibrations