Geometry & MOs

Info

ID:	51858
PubChem CID:	12014617
Reduced:	BrNO4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	562.12696
ΔH_f, kcal/mol:	-106.72
Dipole, Da:	4.15
IP(EA), eV:	-8.92(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;2,2-bis(prop-2-enyl)-1-selanylidenepent-4-ene-1-thiolate;1,4,7,10,13,16-hexaoxacyclooctadecane

Drug info:

PubChemData

Smile

COC1=CC(=C2CCN(C[C@]34C2=C1O[C@H]3CC(=O)C=C4)C=O)Br

DOS

IR

Vibrations