Geometry & MOs

Info

ID:	141755
PubChem CID:	52923472
Reduced:	NPO8C50H93 (1)
Stoich.:	ABC8D50E93 (1)
Weight, g/mol:	773.593456
ΔH_f, kcal/mol:	-442.16
Dipole, Da:	13.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.964284
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-nonadec-9-enoyl]oxypropan-2-yl] nonadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC

DOS

IR

Vibrations