Geometry & MOs

Info

ID:	163152
PubChem CID:	57646617
Reduced:	FSN2O5H15C17 (1)
Stoich.:	ABC2D5E15F17 (1)
Weight, g/mol:	339.071842
ΔH_f, kcal/mol:	-195.72
Dipole, Da:	7.65
IP(EA), eV:	-9.09(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]benzoic acid

Drug info:

PubChemData

Smile

CN1C(=C(C2=C(S1(=O)=O)C=CC(=C2N)CC3=CC=C(C=C3)F)O)C(=O)O

DOS

IR

Vibrations