Geometry & MOs

Info

ID:	159344
PubChem CID:	57269639
Reduced:	SN2O6H20C25 (1)
Stoich.:	AB2C6D20E25 (1)
Weight, g/mol:	662.400629
ΔH_f, kcal/mol:	-105.32
Dipole, Da:	4.15
IP(EA), eV:	-8.9(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tris[2-[2-(2-butoxyethoxy)ethoxy]ethyl] phosphate

Drug info:

PubChemData

Smile

CC(COS(=O)(=O)C1=CC=CC2=C1C=CC(=C2[O-])[N+]#N)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

DOS

IR

Vibrations