Geometry & MOs

Info

ID:	44736
PubChem CID:	10505673
Reduced:	NO5C31H37 (1)
Stoich.:	AB5C31D37 (1)
Weight, g/mol:	503.345818
ΔH_f, kcal/mol:	-165.52
Dipole, Da:	3.39
IP(EA), eV:	-8.66(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E,2S,3R)-3-hydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)N1C[C@@H](C[C@@H]1CCOC2=CC=CC=C2CCC3=CC(=CC=C3)OC)OCC4=CC=CC=C4

DOS

IR

Vibrations