Geometry & MOs

Info

ID:	148370
PubChem CID:	53788032
Reduced:	NO2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	223.016396
ΔH_f, kcal/mol:	-62.1
Dipole, Da:	1.96
IP(EA), eV:	-8.42(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethenyl-5-(4-nitroimidazol-2-ylidene)-2H-thiadiazole

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=CC2=NC3=C(C=CC=C3N2)C(=O)OC)OCC=C

DOS

IR

Vibrations