Geometry & MOs

Info

ID:	151634
PubChem CID:	56242093
Reduced:	OF4N6C19H20 (1)
Stoich.:	AB4C6D19E20 (1)
Weight, g/mol:	416.130697
ΔH_f, kcal/mol:	-141.56
Dipole, Da:	1.54
IP(EA), eV:	-9.12(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC(C)CNC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)F)C(F)(F)F)C

DOS

IR

Vibrations