Geometry & MOs

Info

ID:	217169
PubChem CID:	85087366
Reduced:	OSSeN2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	339.04261
ΔH_f, kcal/mol:	-10.16
Dipole, Da:	6.51
IP(EA), eV:	-8.78(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(furan-2-yl)ethenyl]-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

CCCN1C(C(C(=O)NC1=S)C)[Se]C2=CC=CC=C2

DOS

IR

Vibrations