Geometry & MOs

Info

ID:	84819
PubChem CID:	49870174
Reduced:	NaSO5C28H49 (1)
Stoich.:	ABC5D28E49 (1)
Weight, g/mol:	498.337896
ΔH_f, kcal/mol:	-167.03
Dipole, Da:	24.68
IP(EA), eV:	-8.17(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pentacosa-10,12-diynoxypropyl hydrogen sulfate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC#CC#CCCCCCCCCCOCCCOS(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations