Geometry & MOs

Info

ID:	337825
PubChem CID:	127258448
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	244.022787
ΔH_f, kcal/mol:	-90.77
Dipole, Da:	3.71
IP(EA), eV:	-8.88(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-dithiol-2-ylidene)-3-oxopropyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC/C=C/1\C(=O)C2=CC=CC=C2N1

DOS

IR

Vibrations