Geometry & MOs

Info

ID:

442662

PubChem CID:

135254210

Reduced:

SF3O5C25H27 (1)

Stoich.:

AB3C5D25E27 (1)

Weight, g/mol:

406.24811

ΔHf, kcal/mol:

-339.3

Dipole, Da:

4.65

IP(EA), eV:

 -8.65(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[cyclobutyl(methyl)amino]-N-[(Z)-1-(methylideneamino)-2-[2-methyl-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)phenyl]ethenyl]acetamide

Drug info:

PubChemData

Smile

CC/C(=C\C1=CC2=C(C=C1)O[C@H](CC2S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)CCC(=O)OC)/C

DOS

IR

Vibrations