Geometry & MOs

Info

ID:	406768
PubChem CID:	135078577
Reduced:	SC12H22 (1)
Stoich.:	AB12C22 (1)
Weight, g/mol:	279.107987
ΔH_f, kcal/mol:	-19.18
Dipole, Da:	1.33
IP(EA), eV:	-8.36(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCSC/C=C(\C)/CCC=C(C)C

DOS

IR

Vibrations