Geometry & MOs

Info

ID:	215297
PubChem CID:	85084500
Reduced:	O13C43H74 (1)
Stoich.:	A13B43C74 (1)
Weight, g/mol:	798.51006
ΔH_f, kcal/mol:	-713.83
Dipole, Da:	2.08
IP(EA), eV:	-9.27(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(16-phenylhexadecoxy)-2-(tritylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CC1CCC2(CCC(C(O2)C(C)CCC(C(C)C(CC(C(C(C(C)C)OC(=O)C)OC)OC(=O)C)OC(=O)C)OC(=O)C)C)OC1CCC(C)C(C)OC(=O)C

DOS

IR

Vibrations