Geometry & MOs

Info

ID:	146744
PubChem CID:	53742889
Reduced:	O15C76H140 (1)
Stoich.:	A15B76C140 (1)
Weight, g/mol:	420.324271
ΔH_f, kcal/mol:	-934.38
Dipole, Da:	4.32
IP(EA), eV:	-10.02(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-octadec-9-enyl-(2-phosphonooxyethyl)azanium

Drug info:

Smile

CCCCCCCCCCCCCCCC(=O)[C@@]1([C@@H]([C@H](O[C@@H]([C@]1(C(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)CO)O)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations