Geometry & MOs

Info

ID:

425459

PubChem CID:

135126408

Reduced:

OF3N7H28C32 (1)

Stoich.:

AB3C7D28E32 (1)

Weight, g/mol:

465.128232

ΔHf, kcal/mol:

-1.27

Dipole, Da:

9.18

IP(EA), eV:

 -8.61(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-fluoro-5-[(Z)-2-fluoro-2-(7-methyl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl)ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=NC=CC(=C2)C(F)(F)F)C#CC3=CC4=C(C=C3)N(C=N4)C5=CN(N=C5)C6CCN(CC6)C

DOS

IR

Vibrations