Geometry & MOs

Info

ID:	31657
PubChem CID:	855987
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	318.022977
ΔH_f, kcal/mol:	-6.42
Dipole, Da:	4.81
IP(EA), eV:	-8.82(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations