Geometry & MOs

Info

ID:

163329

PubChem CID:

57758272

Reduced:

OF3N8H13C20 (1)

Stoich.:

AB3C8D13E20 (1)

Weight, g/mol:

554.159946

ΔHf, kcal/mol:

-19.51

Dipole, Da:

4.24

IP(EA), eV:

 -8.91(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-(4-cyanophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

[C-]#[N+]C1=CN2C(=C1C3=CC=C(C=C3)NC(=O)NC4=NC=CC(=C4)C(F)(F)F)C(=NC=N2)N

DOS

IR

Vibrations