Geometry & MOs

Info

ID:	132386
PubChem CID:	51354200
Reduced:	SN5O7C28H33 (1)
Stoich.:	AB5C7D28E33 (1)
Weight, g/mol:	609.233387
ΔH_f, kcal/mol:	-169.41
Dipole, Da:	5.14
IP(EA), eV:	-8.61(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluoroethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide;oxalic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NC2=NC=CC(=N2)C3=CC(=C(C=C3)OC4CCOCC4)C#N)OCCOCCNS(=O)(=O)C

DOS

IR

Vibrations