Geometry & MOs

Info

ID:	380718
PubChem CID:	134971246
Reduced:	O3C22H30 (2)
Stoich.:	A3B22C30 (2)
Weight, g/mol:	313.188923
ΔH_f, kcal/mol:	-232.73
Dipole, Da:	3.33
IP(EA), eV:	-9.17(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,5S)-3-amino-4-hydroxy-3-(hydroxymethyl)-5-[(E)-5-oxoundec-2-enyl]oxolan-2-one

Drug info:

PubChemData

Smile

CCCCCCC1(OCC(CO1)(C)C)CCC/C=C/CC(C(C(=O)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC(C)C)O

DOS

IR

Vibrations