Geometry & MOs

Info

ID:	31656
PubChem CID:	855986
Reduced:	SN3O3H13C16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	340.124549
ΔH_f, kcal/mol:	-23.4
Dipole, Da:	4.84
IP(EA), eV:	-8.83(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations