Geometry & MOs

Info

ID:

448728

PubChem CID:

135293046

Reduced:

SO2F4N6C27H28 (1)

Stoich.:

AB2C4D6E27F28 (1)

Weight, g/mol:

576.193058

ΔHf, kcal/mol:

-179.2

Dipole, Da:

14.68

IP(EA), eV:

 -9.15(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-methylcarbamoyl]cyclobutyl]-methanethioylamino]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide

Drug info:

PubChemData

Smile

C1CCN(C1)CCCNC(=O)C2=C(C=CC(=C2)N3C(=S)N(C(C34CCC4)O)C5=CC(=C(N=C5)C#N)C(F)(F)F)F

DOS

IR

Vibrations