Geometry & MOs

Info

ID:	323360
PubChem CID:	126674538
Reduced:	ClO2N3F4H12C21 (1)
Stoich.:	AB2C3D4E12F21 (1)
Weight, g/mol:	445.080489
ΔH_f, kcal/mol:	-184.7
Dipole, Da:	5.39
IP(EA), eV:	-9.34(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-3-(4-cyano-3-methylphenoxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC2=C(C=C(C=C2)C#N)F)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations