Geometry & MOs

Info

ID:	148733
PubChem CID:	53788402
Reduced:	SO5C13H16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	148.070874
ΔH_f, kcal/mol:	-188.64
Dipole, Da:	4.89
IP(EA), eV:	-9.12(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dioxido-1,2,3,4-tetrahydro-1,2,4,5-tetrazine-1,4-diium-3,6-diamine

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)S)O)O)OC(O1)C3=CC=CC=C3

DOS

IR

Vibrations