Geometry & MOs

Info

ID:	259402
PubChem CID:	103165295
Reduced:	SN2O2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	208.084792
ΔH_f, kcal/mol:	-32.9
Dipole, Da:	3.11
IP(EA), eV:	-9.36(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)NCC2=CC=C(S2)C#CCN

DOS

IR

Vibrations