Geometry & MOs

Info

ID:	62842
PubChem CID:	26737196
Reduced:	FSN3O4C23H26 (1)
Stoich.:	ABC3D4E23F26 (1)
Weight, g/mol:	383.12161
ΔH_f, kcal/mol:	-155.07
Dipole, Da:	6.8
IP(EA), eV:	-8.64(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CCNC(=S)N(CCC1=CC(=C(C=C1)OC)OC)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations