Geometry & MOs

Info

ID:	192881
PubChem CID:	78321845
Reduced:	ON7C20H21 (1)
Stoich.:	AB7C20D21 (1)
Weight, g/mol:	521.122084
ΔH_f, kcal/mol:	94.7
Dipole, Da:	1.87
IP(EA), eV:	-8.43(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylsulfonylphenyl)-N-[4-(4-fluorobenzoyl)-5-(4-fluorophenyl)pyrimidin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1C2=CC3=C(C=C2)NN=C3C4=CC(=NC=N4)N5CCOCC5)C

DOS

IR

Vibrations