Geometry & MOs

Info

ID:

80600

PubChem CID:

49835438

Reduced:

SF3N3O4C24H24 (1)

Stoich.:

AB3C3D4E24F24 (1)

Weight, g/mol:

499.155276

ΔHf, kcal/mol:

-229.5

Dipole, Da:

6.1

IP(EA), eV:

 -9.97(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4R)-4-[(5-ethylsulfonyl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5,5,5-trifluoro-2-methylpentan-2-yl]-5-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=CC(=C(C=C2)S(=O)(=O)[C@H]3C[C@@H]([C@H](C3)OC)C(=O)NC4(CC4)C#N)C(F)(F)F

DOS

IR

Vibrations