Geometry & MOs

Info

ID:	227039
PubChem CID:	87559868
Reduced:	CoSC2O2H4 (1)
Stoich.:	ABC2D2E4 (1)
Weight, g/mol:	308.153169
ΔH_f, kcal/mol:	-62.07
Dipole, Da:	10.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.774554
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[1-(4-methyl-3-oxopent-4-en-2-yl)oxyethyl]-(3-sulfopropyl)azanium

Drug info:

PubChemData

Smile

CC(=O)OS.[Co]

DOS

IR

Vibrations