Geometry & MOs

Info

ID:	264721
PubChem CID:	103485548
Reduced:	NO2S2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	287.093977
ΔH_f, kcal/mol:	-78.93
Dipole, Da:	3.89
IP(EA), eV:	-8.98(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-4-oxopentanoate

Drug info:

PubChemData

Smile

C1CCC(C1)SCC2=NC(=CS2)CCC(=O)O

DOS

IR

Vibrations