Geometry & MOs

Info

ID:	298747
PubChem CID:	117655397
Reduced:	NPO6C39H77 (1)
Stoich.:	ABC6D39E77 (1)
Weight, g/mol:	686.548851
ΔH_f, kcal/mol:	-431.15
Dipole, Da:	4.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751609
Charge, e:	1

Chem-info

IUPAC name:

2-[hydroxy-[(E)-19-oxotetratriacont-9-enoyl]oxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)C(CCCCCC/C=C/CCCCCCCC)C(=O)OP(=O)(O)OCC[N+](C)(C)C

DOS

IR

Vibrations