Geometry & MOs

Info

ID:	140422
PubChem CID:	52694964
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	354.140199
ΔH_f, kcal/mol:	-39.41
Dipole, Da:	3.51
IP(EA), eV:	-8.87(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methylphenoxy)methyl]-5-[(2S)-4-phenylbutan-2-yl]sulfanyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC2=NN=C(O2)SCC3=CC=CC=C3OC(C)C

DOS

IR

Vibrations