Geometry & MOs

Info

ID:	390325
PubChem CID:	134998495
Reduced:	OS2N4C8H13 (2)
Stoich.:	AB2C4D8E13 (2)
Weight, g/mol:	324.093066
ΔH_f, kcal/mol:	84.13
Dipole, Da:	0.38
IP(EA), eV:	-9.09(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butylimino-(7-nitramido-2,4-dioxido-1,2,3,4-benzotetrazine-2,4-diium-6-yl)-oxidoazanium

Drug info:

PubChemData

Smile

C(CCOC1=NN=C(N=N1)SCCCCS)COC2=NN=C(N=N2)SCCCCS

DOS

IR

Vibrations