Geometry & MOs

Info

ID:	31638
PubChem CID:	855965
Reduced:	SN3O3H13C15 (1)
Stoich.:	AB3C3D13E15 (1)
Weight, g/mol:	345.070261
ΔH_f, kcal/mol:	-24.01
Dipole, Da:	3.55
IP(EA), eV:	-8.78(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methylaniline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2OCC3=NN=C(O3)SCC(=O)N

DOS

IR

Vibrations