Geometry & MOs

Info

ID:

425447

PubChem CID:

135126364

Reduced:

NO6C32H49 (1)

Stoich.:

AB6C32D49 (1)

Weight, g/mol:

516.175516

ΔHf, kcal/mol:

-282.26

Dipole, Da:

1.79

IP(EA), eV:

 -9.25(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-fluoro-5-[2-fluoro-2-[5-(2-imidazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

CC1CCC2CCC(C(O2)C(=O)C(=O)N3CCCCC3C(=O)OCC(CCC(=O)C(/C=C(\C1)/C)CC=C)C)C

DOS

IR

Vibrations