Geometry & MOs

Info

ID:

425436

PubChem CID:

135126318

Reduced:

O3N4C25H30 (1)

Stoich.:

A3B4C25D30 (1)

Weight, g/mol:

531.15003

ΔHf, kcal/mol:

-84.17

Dipole, Da:

5.13

IP(EA), eV:

 -8.61(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[2-fluoro-5-[2-fluoro-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-5,8-dimethyl-4,4-dioxo-4lambda6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC2=CC=NN12)C3=CC4=C(C=C3)OC5(CC4)CCN(C(C5)OC(C)C)C(=O)N

DOS

IR

Vibrations