Geometry & MOs

Info

ID:	47450
PubChem CID:	10532787
Reduced:	BrSN2O8C33H41 (1)
Stoich.:	ABC2D8E33F41 (1)
Weight, g/mol:	707.473734
ΔH_f, kcal/mol:	-225.4
Dipole, Da:	5.87
IP(EA), eV:	-8.81(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(11-carboxyundecanoyloxy)-3-hexadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCN(C(=O)NC1=C(C(=CC(=C1)[C@@H]2CC[C@H](O2)C3=CC(=C(C(=C3)OC)OC)OC)OC)OCCSC4=CC=C(C=C4)Br)O

DOS

IR

Vibrations