Geometry & MOs

Info

ID:

185141

PubChem CID:

77261564

Reduced:

FN2O2C29H31 (1)

Stoich.:

AB2C2D29E31 (1)

Weight, g/mol:

511.113326

ΔHf, kcal/mol:

-85.9

Dipole, Da:

5.2

IP(EA), eV:

 -9.02(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[2-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,3-diazinan-1-yl]phenoxy]propanoylamino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C2=CC=CC=C21)F)N(C3CCC(C3)C4=CC=C(C=C4)C#N)C(=O)OC(C)(C)C

DOS

IR

Vibrations