Geometry & MOs

Info

ID:	388704
PubChem CID:	134989956
Reduced:	NOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	272.083078
ΔH_f, kcal/mol:	-8.62
Dipole, Da:	4.29
IP(EA), eV:	-8.9(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 3-ethyl-2-sulfanylidene-1H-imidazole-4,5-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=NC=C2OC

DOS

IR

Vibrations