Geometry & MOs

Info

ID:	121808
PubChem CID:	50781965
Reduced:	FN3O5C21H22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	477.145534
ΔH_f, kcal/mol:	-221.52
Dipole, Da:	1.05
IP(EA), eV:	-8.72(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(4-acetylphenyl)piperazin-1-yl]-2-[(2-chlorobenzoyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)O

DOS

IR

Vibrations