Geometry & MOs

Info

ID:	12049
PubChem CID:	127784
Reduced:	NO2C9H15 (3)
Stoich.:	AB2C9D15 (3)
Weight, g/mol:	507.330836
ΔH_f, kcal/mol:	-293.45
Dipole, Da:	5.62
IP(EA), eV:	-9.59(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl octadec-9-enoate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O

DOS

IR

Vibrations