Geometry & MOs

Info

ID:	69391
PubChem CID:	46530922
Reduced:	OS2N3H17C21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	492.083662
ΔH_f, kcal/mol:	60.78
Dipole, Da:	4.16
IP(EA), eV:	-8.47(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)NC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations