Geometry & MOs

Info

ID:	121801
PubChem CID:	50781948
Reduced:	FN4O5C23H27 (1)
Stoich.:	AB4C5D23E27 (1)
Weight, g/mol:	449.150619
ΔH_f, kcal/mol:	-204.7
Dipole, Da:	2.02
IP(EA), eV:	-8.93(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC(=O)CN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3F)C(=O)O

DOS

IR

Vibrations