Geometry & MOs

Info

ID:	31568
PubChem CID:	855880
Reduced:	NOH10C11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	298.077599
ΔH_f, kcal/mol:	-16.26
Dipole, Da:	3.73
IP(EA), eV:	-8.51(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations