Geometry & MOs

Info

ID:	162886
PubChem CID:	57578278
Reduced:	NCl2S2O4 (1)
Stoich.:	AB2C2D4 (1)
Weight, g/mol:	359.248724
ΔH_f, kcal/mol:	-99.74
Dipole, Da:	0.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760047
Charge, e:	1

Chem-info

IUPAC name:

1,3,3-trimethyl-2-[3-[(2R)-1,3,3-trimethyl-2H-indol-2-yl]prop-1-enyl]indol-1-ium

Drug info:

PubChemData

Smile

[N-](S(=O)(=O)Cl)S(=O)(=O)Cl

DOS

IR

Vibrations