Geometry & MOs

Info

ID:	68403
PubChem CID:	46508348
Reduced:	ClSO3N4H21C24 (1)
Stoich.:	ABC3D4E21F24 (1)
Weight, g/mol:	415.093498
ΔH_f, kcal/mol:	-54.68
Dipole, Da:	1.06
IP(EA), eV:	-8.52(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chloroanilino)-1-oxopropan-2-yl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CS4)Cl

DOS

IR

Vibrations