Geometry & MOs

Info

ID:	236383
PubChem CID:	92712628
Reduced:	SO3N6H24C26 (1)
Stoich.:	AB3C6D24E26 (1)
Weight, g/mol:	500.9994
ΔH_f, kcal/mol:	40.46
Dipole, Da:	8.3
IP(EA), eV:	-8.83(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-5-(5-bromo-2-phenylmethoxyphenyl)-2-(5-nitrothiophen-2-yl)-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1[C@](OC(=N1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)OC)(C)C5=CN=CC=C5

DOS

IR

Vibrations