Geometry & MOs

Info

ID:	16878
PubChem CID:	478233
Reduced:	O2N4F12H12C19 (1)
Stoich.:	A2B4C12D12E19 (1)
Weight, g/mol:	556.076864
ΔH_f, kcal/mol:	-657.26
Dipole, Da:	7.72
IP(EA), eV:	-9.83(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,5-bis(trifluoromethyl)phenyl]-1-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-1-methylurea

Drug info:

PubChemData

Smile

CN(C(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations