Geometry & MOs

Info

ID:	122168
PubChem CID:	50796600
Reduced:	SN3O3C16H17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	317.056719
ΔH_f, kcal/mol:	-90.92
Dipole, Da:	6.72
IP(EA), eV:	-8.39(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)S(=O)(=O)NC2=CC3=C(C=C2)NC(=O)N3)C)C

DOS

IR

Vibrations