Geometry & MOs

Info

ID:

162552

PubChem CID:

57395044

Reduced:

F2N4O5C29H30 (1)

Stoich.:

A2B4C5D29E30 (1)

Weight, g/mol:

565.233662

ΔHf, kcal/mol:

-207.78

Dipole, Da:

4.93

IP(EA), eV:

 -8.81(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[2-[[2-(diethylamino)-2-oxoacetyl]amino]propan-2-yl]-4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-6-oxopyrimidin-5-yl] benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)N(CC1=CC(=CC(=C1)F)F)C2=CC3=C(C=C2)N(CC(O3)(C)COC4=CC=C(C=C4)C(=N)N)C

DOS

IR

Vibrations