Geometry & MOs

Info

ID:	236897
PubChem CID:	92715519
Reduced:	N3O3C8H9 (2)
Stoich.:	A3B3C8D9 (2)
Weight, g/mol:	397.999175
ΔH_f, kcal/mol:	-143.28
Dipole, Da:	7.57
IP(EA), eV:	-8.91(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(2-chlorophenyl)-5-[(2,4-dichlorophenoxy)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](OC(=N1)CNC2=NNC(=O)NC2=O)C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations