Geometry & MOs

Info

ID:

321425

PubChem CID:

126666010

Reduced:

SF4O4N6C40H44 (1)

Stoich.:

AB4C4D6E40F44 (1)

Weight, g/mol:

344.075684

ΔHf, kcal/mol:

-239.57

Dipole, Da:

7.72

IP(EA), eV:

 -8.65(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-methyl-7-[(4-nitrophenyl)methyl]-4-oxo-[1,2]oxazolo[4,5-d]pyridazin-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)N(C3=CC=CC=C3F)[C@](CCC4CC4)(C5=CC=CC(=C5)C#N)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations