Geometry & MOs

Info

ID:	77998
PubChem CID:	49681498
Reduced:	SO2N4H14C16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	312.068097
ΔH_f, kcal/mol:	35.19
Dipole, Da:	6.64
IP(EA), eV:	-9.33(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfanyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CCSC1=CC=CC=C1C(=O)NC2=NN=C(O2)C3=CC=NC=C3

DOS

IR

Vibrations