Geometry & MOs

Info

ID:	44298
PubChem CID:	10502578
Reduced:	ClON4H19C25 (1)
Stoich.:	ABC4D19E25 (1)
Weight, g/mol:	347.038491
ΔH_f, kcal/mol:	100.81
Dipole, Da:	1.87
IP(EA), eV:	-9.04(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5,11-dimethyl-2-(4-nitrophenyl)-6,10-dithia-3,4,8,12-tetraza-1-azoniatricyclo[7.3.0.03,7]dodeca-1(9),4,7,11-tetraene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C2=CC=C(C=C2)Cl)(C3=C4C=NN(C4=NC=N3)C5=CC=CC=C5)O

DOS

IR

Vibrations