Geometry & MOs

Info

ID:	131458
PubChem CID:	51209303
Reduced:	SO3N4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	395.087453
ΔH_f, kcal/mol:	-22.9
Dipole, Da:	5.37
IP(EA), eV:	-9.04(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CC(C(=O)NC)SC1=NN=C(N1CC2=CC=CO2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations