Geometry & MOs

Info

ID:	228561
PubChem CID:	87565296
Reduced:	FS2O3N6H17C22 (1)
Stoich.:	AB2C3D6E17F22 (1)
Weight, g/mol:	356.050532
ΔH_f, kcal/mol:	18.21
Dipole, Da:	4.66
IP(EA), eV:	-8.76(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-2-(2,4,6-trinitrophenyl)ethenyl]benzotriazole

Drug info:

PubChemData

Smile

CCOCC(=O)NC1=NC2=C(S1)C=C(C=C2)SC3=NN=C4N3N=C(C=C4)OC5=CC(=CC=C5)F

DOS

IR

Vibrations