Geometry & MOs

Info

ID:	322252
PubChem CID:	126669541
Reduced:	SN3O3F5H18C20 (1)
Stoich.:	AB3C3D5E18F20 (1)
Weight, g/mol:	476.119521
ΔH_f, kcal/mol:	-274.42
Dipole, Da:	7.58
IP(EA), eV:	-9.39(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations