Geometry & MOs

Info

ID:	31564
PubChem CID:	855876
Reduced:	SN3O4H11C15 (1)
Stoich.:	AB3C4D11E15 (1)
Weight, g/mol:	341.083413
ΔH_f, kcal/mol:	14.93
Dipole, Da:	3.97
IP(EA), eV:	-9.4(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(3-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C2=NN=C(O2)SCC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations