Geometry & MOs

Info

ID:

323496

PubChem CID:

126675035

Reduced:

N3O10C20H39 (1)

Stoich.:

A3B10C20D39 (1)

Weight, g/mol:

537.139465

ΔHf, kcal/mol:

-480.81

Dipole, Da:

1.09

IP(EA), eV:

 -9.82(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC([C@H](C(C1O)O[C@H]2C(C([C@H](O2)[C@H](C)N)O)O)O[C@@H]3C(C([C@@H](C(O3)[C@@H](C)O)O)O)N)N

DOS

IR

Vibrations