Geometry & MOs

Info

ID:	143574
PubChem CID:	53228586
Reduced:	F3O3H13C16 (1)
Stoich.:	A3B3C13D16 (1)
Weight, g/mol:	347.092436
ΔH_f, kcal/mol:	-253.72
Dipole, Da:	4.84
IP(EA), eV:	-9.44(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=C(C=CC(=C2)C(F)(F)F)OC)C(=O)O

DOS

IR

Vibrations