Geometry & MOs

Info

ID:	77997
PubChem CID:	49681497
Reduced:	SN4O4H14C16 (1)
Stoich.:	AB4C4D14E16 (1)
Weight, g/mol:	326.083747
ΔH_f, kcal/mol:	-41.53
Dipole, Da:	7.79
IP(EA), eV:	-9.59(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=NN=C(O2)C3=CC=NC=C3

DOS

IR

Vibrations