Geometry & MOs

Info

ID:	138184
PubChem CID:	52325559
Reduced:	SN2O6C20H22 (1)
Stoich.:	AB2C6D20E22 (1)
Weight, g/mol:	405.196489
ΔH_f, kcal/mol:	-192.58
Dipole, Da:	8.25
IP(EA), eV:	-8.92(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-2-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C(=O)N2)CCNS(=O)(=O)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations