Geometry & MOs

Info

ID:

59639

PubChem CID:

24891248

Reduced:

FSO2N5C25H26 (1)

Stoich.:

ABC2D5E25F26 (1)

Weight, g/mol:

480.174373

ΔHf, kcal/mol:

-62.16

Dipole, Da:

2.28

IP(EA), eV:

 -8.83(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[[1-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methyl]piperidin-4-yl]amino]methyl]-5H-pyridazino[3,4-b][1,4]thiazin-6-one

Drug info:

PubChemData

Smile

C1CN(CC1CNCC2=NC3=C(C=C2)SCC(=O)N3)CC4CN5C(=O)C=CC6=C5C4=C(C=C6)F

DOS

IR

Vibrations