Geometry & MOs

Info

ID:	78558
PubChem CID:	49693619
Reduced:	SN2O2C10H12 (2)
Stoich.:	AB2C2D10E12 (2)
Weight, g/mol:	310.052447
ΔH_f, kcal/mol:	-66.12
Dipole, Da:	4.09
IP(EA), eV:	-9.15(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(O2)CC3=CC=CS3

DOS

IR

Vibrations