Geometry & MOs

Info

ID:	121807
PubChem CID:	50781964
Reduced:	ClFN3O3H21C24 (1)
Stoich.:	ABC3D3E21F24 (1)
Weight, g/mol:	415.154349
ΔH_f, kcal/mol:	-109.95
Dipole, Da:	1.53
IP(EA), eV:	-8.31(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)Cl)C3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)F)C(=O)O

DOS

IR

Vibrations