Geometry & MOs

Info

ID:	77991
PubChem CID:	49681466
Reduced:	SO2N4H14C16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	35.88
Dipole, Da:	4.07
IP(EA), eV:	-9.18(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylphenyl)sulfanyl-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CCSC1=CC=C(C=C1)C(=O)NC2=NN=C(O2)C3=CN=CC=C3

DOS

IR

Vibrations