Geometry & MOs

Info

ID:	60917
PubChem CID:	26703094
Reduced:	ClSN4O4H15C18 (1)
Stoich.:	ABC4D4E15F18 (1)
Weight, g/mol:	481.059611
ΔH_f, kcal/mol:	-87.63
Dipole, Da:	3.37
IP(EA), eV:	-8.99(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chlorobenzoyl)amino]phenyl] 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)NC(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O)C

DOS

IR

Vibrations