Geometry & MOs

Info

ID:	322244
PubChem CID:	126669515
Reduced:	F3N3O4H20C22 (1)
Stoich.:	A3B3C4D20E22 (1)
Weight, g/mol:	503.166805
ΔH_f, kcal/mol:	-241.1
Dipole, Da:	4.0
IP(EA), eV:	-8.98(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)OC(F)(F)F)NC(=O)NCC2=CC=CC=C2OCC3=CN=CC=C3

DOS

IR

Vibrations