Geometry & MOs

Info

ID:	322322
PubChem CID:	126669737
Reduced:	F3N3O5H22C24 (1)
Stoich.:	A3B3C5D22E24 (1)
Weight, g/mol:	517.182455
ΔH_f, kcal/mol:	-294.87
Dipole, Da:	8.31
IP(EA), eV:	-8.96(-0.7)
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,N-dimethylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations