Geometry & MOs

Info

ID:	328195
PubChem CID:	126697524
Reduced:	BrPO4C23H48 (1)
Stoich.:	ABC4D23E48 (1)
Weight, g/mol:	579.472355
ΔH_f, kcal/mol:	-347.26
Dipole, Da:	5.69
IP(EA), eV:	-10.38(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-[[(cyanoamino)-(dimethylamino)methylidene]amino]propyl-(8-nonoxy-8-oxooctyl)amino]octanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCBr

DOS

IR

Vibrations