Geometry & MOs

Info

ID:

429776

PubChem CID:

135169828

Reduced:

ClFIOSN4H15C24 (1)

Stoich.:

ABCDEF4G15H24 (1)

Weight, g/mol:

481.068112

ΔHf, kcal/mol:

52.03

Dipole, Da:

4.02

IP(EA), eV:

 -9.36(-2.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-cyano-6-(triazol-2-yl)pyridin-3-yl]-7,7,8-trifluoro-8lambda4-thia-2,3,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),3,5,9,11,13-hexaene-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(N=C2)N(C=C3C4=CC5=C(C=CN=C5C(=C4)F)Cl)SI

DOS

IR

Vibrations