Geometry & MOs

Info

ID:

59638

PubChem CID:

24891245

Reduced:

ClN2O3H13C15 (1)

Stoich.:

AB2C3D13E15 (1)

Weight, g/mol:

479.179124

ΔHf, kcal/mol:

-78.17

Dipole, Da:

2.74

IP(EA), eV:

 -9.78(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[[1-[(5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl)methyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

Drug info:

PubChemData

Smile

COC(=O)CNC(=O)C1=NC=CC(=C1)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations