Geometry & MOs

Info

ID:

185225

PubChem CID:

77272102

Reduced:

SF2N3O6H19C21 (1)

Stoich.:

AB2C3D6E19F21 (1)

Weight, g/mol:

413.014952

ΔHf, kcal/mol:

-235.01

Dipole, Da:

6.01

IP(EA), eV:

 -9.27(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(5-chloro-3-oxo-4H-pyridazin-4-yl)sulfanyl]-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7,9,14,16-heptaen-11-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)NC(=O)C1=CC(=NO1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=CC(=C3)F)F

DOS

IR

Vibrations