Geometry & MOs

Info

ID:	224992
PubChem CID:	85735410
Reduced:	PO11C26H49 (1)
Stoich.:	AB11C26D49 (1)
Weight, g/mol:	268.026626
ΔH_f, kcal/mol:	-567.46
Dipole, Da:	3.65
IP(EA), eV:	-8.69(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-7-(2-nitropropan-2-yl)-2,1,3-benzothiadiazole

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCOCCO.OP(=O)(O)O

DOS

IR

Vibrations