Geometry & MOs

Info

ID:	82814
PubChem CID:	49856595
Reduced:	PSN6O8C22H27 (1)
Stoich.:	ABC6D8E22F27 (1)
Weight, g/mol:	719.614495
ΔH_f, kcal/mol:	-319.74
Dipole, Da:	6.45
IP(EA), eV:	-8.89(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(113C)hexanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)NP(=O)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C3=C(N=CN=C32)N)C(=S)N)O)O)OC4=CC=CC=C4

DOS

IR

Vibrations