Geometry & MOs

Info

ID:	322258
PubChem CID:	126669548
Reduced:	F3N3O3H20C23 (1)
Stoich.:	A3B3C3D20E23 (1)
Weight, g/mol:	490.135171
ΔH_f, kcal/mol:	-213.75
Dipole, Da:	6.45
IP(EA), eV:	-9.25(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[[3-(hydroxymethyl)-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)NC2=CC=CC(=C2)C(F)(F)F)OCC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations