Geometry & MOs

Info

ID:	396298
PubChem CID:	135028017
Reduced:	N2S2O3C26H28 (1)
Stoich.:	A2B2C3D26E28 (1)
Weight, g/mol:	87.044604
ΔH_f, kcal/mol:	-40.93
Dipole, Da:	6.2
IP(EA), eV:	-8.34(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1-hydroxy-2-methylprop-2-enylidene)oxidanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(SC2(C3=CC=CC=C3)N4CCOCC4)C5=CC=CC=C5

DOS

IR

Vibrations