Geometry & MOs

Info

ID:	130807
PubChem CID:	51110841
Reduced:	SN4O6C18H24 (1)
Stoich.:	AB4C6D18E24 (1)
Weight, g/mol:	392.130697
ΔH_f, kcal/mol:	-204.25
Dipole, Da:	11.21
IP(EA), eV:	-9.08(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dimethylphenoxy)methyl]-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations