Geometry & MOs

Info

ID:	145207
PubChem CID:	53477665
Reduced:	N2P2O11C12H20 (1)
Stoich.:	A2B2C11D12E20 (1)
Weight, g/mol:	726.616226
ΔH_f, kcal/mol:	-612.95
Dipole, Da:	4.58
IP(EA), eV:	-9.41(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-hydroxy-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropan-2-yl] (Z)-tetracos-15-enoate

Drug info:

PubChemData

Smile

CCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O

DOS

IR

Vibrations