Geometry & MOs

Info

ID:

378472

PubChem CID:

134224555

Reduced:

FN3O5C39H44 (1)

Stoich.:

AB3C5D39E44 (1)

Weight, g/mol:

694.226134

ΔHf, kcal/mol:

-187.6

Dipole, Da:

6.53

IP(EA), eV:

 -8.44(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[[(2R)-2-cyano-6-methoxy-3,4-dihydro-1H-naphthalen-2-yl]carbamoyl]phenyl]-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)C4=CC(=CC=C4)C(=O)N[C@@]5([C@@H](C[C@@H]6C[C@H]5C6(C)C)C(=O)OC)C

DOS

IR

Vibrations