Geometry & MOs

Info

ID:	188565
PubChem CID:	77735223
Reduced:	ClO3N7H18C24 (1)
Stoich.:	AB3C7D18E24 (1)
Weight, g/mol:	493.099788
ΔH_f, kcal/mol:	54.68
Dipole, Da:	8.02
IP(EA), eV:	-8.69(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-cyano-2-(5-oxo-1,2,4-oxadiazolidin-3-yl)phenyl]-6-[2-(trifluoromethyl)phenyl]-1,2-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC4=C3NC(=C4)C(=O)NC5=C(C=C(C=C5)Cl)C6NNNN6

DOS

IR

Vibrations