Geometry & MOs

Info

ID:	236360
PubChem CID:	92712534
Reduced:	NO2H7C8 (3)
Stoich.:	AB2C7D8 (3)
Weight, g/mol:	357.078327
ΔH_f, kcal/mol:	-54.34
Dipole, Da:	7.74
IP(EA), eV:	-9.07(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](OC(=N1)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC(=C(C=C4[N+](=O)[O-])OC)OC

DOS

IR

Vibrations