Geometry & MOs

Info

ID:

128360

PubChem CID:

51041136

Reduced:

O3N4C23H28 (2)

Stoich.:

A3B4C23D28 (2)

Weight, g/mol:

488.139291

ΔHf, kcal/mol:

-204.62

Dipole, Da:

4.69

IP(EA), eV:

 -8.62(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-fluoro-1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methyl]-2-methoxypyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N2CCC[C@H]2C3=NC=C(N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CN=C(N6)[C@H]7[C@H]8CC[C@@H](C8)N7C(=O)[C@@H]9CCCC[C@@H]9NC(=O)OC

DOS

IR

Vibrations