Geometry & MOs

Info

ID:

321338

PubChem CID:

126665831

Reduced:

SF4O4N6C38H44 (1)

Stoich.:

AB4C4D6E38F44 (1)

Weight, g/mol:

488.147153

ΔHf, kcal/mol:

-263.49

Dipole, Da:

6.3

IP(EA), eV:

 -8.23(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-fluoro-2-methyl-3-[3-methyl-4-oxo-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C=C(C(=N2)C(F)(F)F)C(=O)NC3=C(C=CC(=C3)[C@@](CCC4CC4)(C5=CN=CC=C5)N[S@](=O)C(C)(C)C)F

DOS

IR

Vibrations