Geometry & MOs

Info

ID:	77995
PubChem CID:	49681494
Reduced:	ClSO2N4H13C16 (1)
Stoich.:	ABC2D4E13F16 (1)
Weight, g/mol:	312.068097
ΔH_f, kcal/mol:	27.04
Dipole, Da:	6.23
IP(EA), eV:	-9.36(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SCCC(=O)NC2=NN=C(O2)C3=CC=NC=C3)Cl

DOS

IR

Vibrations