Geometry & MOs

Info

ID:	24427
PubChem CID:	610221
Reduced:	OSN5C9H9 (1)
Stoich.:	ABC5D9E9 (1)
Weight, g/mol:	235.052781
ΔH_f, kcal/mol:	55.44
Dipole, Da:	2.87
IP(EA), eV:	-8.83(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6'-sulfanylspiro[1H-indole-3,3'-2,4-dihydro-1H-1,2,4,5-tetrazine]-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3(C(=O)N2)NNC(=NN3)S

DOS

IR

Vibrations