Geometry & MOs

Info

ID:

448732

PubChem CID:

135293071

Reduced:

SO2F4N5H27C29 (1)

Stoich.:

AB2C4D5E27F29 (1)

Weight, g/mol:

537.145773

ΔHf, kcal/mol:

-163.43

Dipole, Da:

10.44

IP(EA), eV:

 -9.3(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[1-[[6-cyano-5-(trifluoromethyl)pyridin-3-yl]carbamoyl]cyclobutyl]-ethanethioylamino]-2-fluoro-N-(3-hydroxypropyl)benzamide

Drug info:

PubChemData

Smile

C/C(=C\C(=C(\C#N)/NC)\C(F)(F)F)/N1C(=O)C2(CCC2)N(C1=S)C3=CC(=C(C=C3)C(=O)NCCC4=CC=CC=C4)F

DOS

IR

Vibrations