Geometry & MOs

Info

ID:	84817
PubChem CID:	49870170
Reduced:	BrPC43H58 (1)
Stoich.:	ABC43D58 (1)
Weight, g/mol:	462.277975
ΔH_f, kcal/mol:	111.11
Dipole, Da:	53.9
IP(EA), eV:	-4.89(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;pentacosa-10,12-diynyl sulfate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC#CC#CCCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

DOS

IR

Vibrations