Geometry & MOs

Info

ID:

309764

PubChem CID:

126557773

Reduced:

SF2O2N5C26H27 (1)

Stoich.:

AB2C2D5E26F27 (1)

Weight, g/mol:

487.145596

ΔHf, kcal/mol:

-74.95

Dipole, Da:

4.95

IP(EA), eV:

 -9.01(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[2,6-difluoro-4-(2-phenylethynyl)phenyl]-9a-methyl-2-pyridazin-3-yl-4,9-dihydro-3H-pyrazino[1,2-c]pyrimidine-1,6,8-trione

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](SC(=N[C@]1(C)C2=C(C=CC(=C2)/C=C(/C3=NC=C(C=C3)C#N)\F)F)N)C(=O)N4CC[C@H](C4)O

DOS

IR

Vibrations