Geometry & MOs

Info

ID:	195825
PubChem CID:	78736288
Reduced:	SN3O6H13C14 (1)
Stoich.:	AB3C6D13E14 (1)
Weight, g/mol:	348.041607
ΔH_f, kcal/mol:	-81.09
Dipole, Da:	7.34
IP(EA), eV:	-9.81(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

3-[3-(carboxylatomethoxy)phenyl]-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)SC(=CC2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations