Geometry & MOs

Info

ID:	63465
PubChem CID:	26758407
Reduced:	ClSF2N2O5H17C18 (1)
Stoich.:	ABC2D2E5F17G18 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-257.51
Dipole, Da:	8.52
IP(EA), eV:	-9.1(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=C(C=C1)Cl)S(=O)(=O)N(C)C)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations