Geometry & MOs

Info

ID:	322253
PubChem CID:	126669542
Reduced:	N2F3O6H19C23 (1)
Stoich.:	A2B3C6D19E23 (1)
Weight, g/mol:	459.140591
ΔH_f, kcal/mol:	-331.78
Dipole, Da:	5.11
IP(EA), eV:	-8.97(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)OC(F)(F)F)NC(=O)NCC2=CC=CC=C2OC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations