Geometry & MOs

Info

ID:	447272
PubChem CID:	135281661
Reduced:	ClF2O5H15C20 (1)
Stoich.:	AB2C5D15E20 (1)
Weight, g/mol:	336.056465
ΔH_f, kcal/mol:	-250.5
Dipole, Da:	3.93
IP(EA), eV:	-10.25(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorobenzoyl)-3-fluoro-5-(2-hydroxypropan-2-yl)benzoic acid

Drug info:

PubChemData

Smile

C1COCCC1(C(=O)C2=CC(=C(C(=C2)F)C(=O)C3=CC=C(C=C3)Cl)C(=O)O)F

DOS

IR

Vibrations