Geometry & MOs

Info

ID:	121806
PubChem CID:	50781963
Reduced:	ClN3O3C24H28 (1)
Stoich.:	AB3C3D24E28 (1)
Weight, g/mol:	453.125547
ΔH_f, kcal/mol:	-95.78
Dipole, Da:	4.4
IP(EA), eV:	-8.43(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-fluorobenzoyl)amino]benzoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CCN(CC2)C3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)C(=O)O

DOS

IR

Vibrations