Geometry & MOs

Info

ID:	31640
PubChem CID:	855967
Reduced:	ClSO2N4H11C15 (1)
Stoich.:	ABC2D4E11F15 (1)
Weight, g/mol:	319.099063
ΔH_f, kcal/mol:	28.34
Dipole, Da:	4.8
IP(EA), eV:	-9.27(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylmethylsulfanyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3)Cl

DOS

IR

Vibrations