Geometry & MOs

Info

ID:	442688
PubChem CID:	135255770
Reduced:	BrFO3N5H15C20 (1)
Stoich.:	ABC3D5E15F20 (1)
Weight, g/mol:	433.01858
ΔH_f, kcal/mol:	-12.09
Dipole, Da:	3.47
IP(EA), eV:	-8.43(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3E)-3-[(3-bromo-4-fluoroanilino)-nitrosomethylidene]-1,2-oxazol-4-yl]-3-phenylurea

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)NC(=O)NC3=COC=C3C(=NC4=CC(=C(C=C4)F)Br)NO

DOS

IR

Vibrations