Geometry & MOs

Info

ID:

321335

PubChem CID:

126665825

Reduced:

SO2F4N6C33H36 (1)

Stoich.:

AB2C4D6E33F36 (1)

Weight, g/mol:

452.125133

ΔHf, kcal/mol:

-150.31

Dipole, Da:

4.55

IP(EA), eV:

 -8.56(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-[1-(4-chlorophenyl)ethyl]-3-methyl-4-oxo-[1,2]oxazolo[4,5-d]pyridazin-7-yl]-4-methoxyphenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)NC(CCC1CC1)(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=CN=CC=C5

DOS

IR

Vibrations