Geometry & MOs

Info

ID:	122173
PubChem CID:	50796840
Reduced:	BrSN3O3C16H16 (1)
Stoich.:	ABC3D3E16F16 (1)
Weight, g/mol:	296.116092
ΔH_f, kcal/mol:	-65.85
Dipole, Da:	6.12
IP(EA), eV:	-8.13(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1NS(=O)(=O)C3=CC=CC=C3Br)N(C(=O)N2C)C

DOS

IR

Vibrations