Geometry & MOs

Info

ID:	122187
PubChem CID:	50797232
Reduced:	N3O6C20H23 (1)
Stoich.:	A3B6C20D23 (1)
Weight, g/mol:	407.02808
ΔH_f, kcal/mol:	-190.44
Dipole, Da:	9.46
IP(EA), eV:	-8.5(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-fluorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C(=C3)OC)OC)OC)OC1=O

DOS

IR

Vibrations