Geometry & MOs

Info

ID:

147853

PubChem CID:

53787511

Reduced:

FN3O4H16C17 (1)

Stoich.:

AB3C4D16E17 (1)

Weight, g/mol:

473.064604

ΔHf, kcal/mol:

-162.62

Dipole, Da:

7.64

IP(EA), eV:

 -9.99(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-methoxypropan-2-yl 3-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]-3-sulfanylidenepropanoate

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=O)N1C)C2=C(C=C(C(=C2)C(=O)OC(C)C)C#N)F

DOS

IR

Vibrations