Geometry & MOs

Info

ID:	236393
PubChem CID:	92712672
Reduced:	ClN3O6H14C18 (1)
Stoich.:	AB3C6D14E18 (1)
Weight, g/mol:	393.028311
ΔH_f, kcal/mol:	-92.42
Dipole, Da:	6.75
IP(EA), eV:	-9.29(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(3,4-dichlorophenyl)-2-methyl-5-(4-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](OC(=N1)C2=CC=CC=C2OC(=O)C)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations