Geometry & MOs

Info

ID:	81653
PubChem CID:	49854970
Reduced:	ClF4O4N6H25C28 (1)
Stoich.:	AB4C4D6E25F28 (1)
Weight, g/mol:	344.058418
ΔH_f, kcal/mol:	-265.8
Dipole, Da:	8.22
IP(EA), eV:	-8.88(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-5-formylphenyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CNC(=O)C2=C(C=NN2)NCC3=CC(=CC(=C3)F)NC(=O)NC4=C(C=C(C=C4)C(F)(F)F)Cl)OC

DOS

IR

Vibrations