Geometry & MOs

Info

ID:	140423
PubChem CID:	52694965
Reduced:	SN2O2C20H22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	354.140199
ΔH_f, kcal/mol:	1.7
Dipole, Da:	1.94
IP(EA), eV:	-9.03(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC2=NN=C(O2)S[C@@H](C)CCC3=CC=CC=C3

DOS

IR

Vibrations