Geometry & MOs

Info

ID:	122185
PubChem CID:	50797230
Reduced:	ClN3O3H16C17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-87.48
Dipole, Da:	8.6
IP(EA), eV:	-8.73(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethylphenyl)-3-(2-oxo-3-propan-2-yl-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)Cl)OC1=O

DOS

IR

Vibrations