Geometry & MOs

Info

ID:	136854
PubChem CID:	52112234
Reduced:	ON4C24H25 (1)
Stoich.:	AB4C24D25 (1)
Weight, g/mol:	431.049526
ΔH_f, kcal/mol:	57.73
Dipole, Da:	3.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.088373
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-chlorophenyl)sulfanyl-2-phenyl-1,3-oxazol-4-yl]-5-phenyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC2=[NH+]C(=NC3=CC=CC=C32)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations