Geometry & MOs

Info

ID:	323398
PubChem CID:	126674693
Reduced:	BrClO2F3N3H14C22 (1)
Stoich.:	ABC2D3E3F14G22 (1)
Weight, g/mol:	499.052223
ΔH_f, kcal/mol:	-145.95
Dipole, Da:	12.59
IP(EA), eV:	-9.21(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-chloro-3-(4-cyanophenoxy)phenyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)OC3=CC(=C(C=C3)C#N)Br

DOS

IR

Vibrations