Geometry & MOs

Info

ID:	380721
PubChem CID:	134971249
Reduced:	NO8C31H47 (1)
Stoich.:	AB8C31D47 (1)
Weight, g/mol:	431.230788
ΔH_f, kcal/mol:	-354.96
Dipole, Da:	4.69
IP(EA), eV:	-9.44(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5R)-4-hydroxy-3-(hydroxymethyl)-2-oxo-5-[(E)-6-oxododec-2-enyl]oxolan-3-yl]benzamide

Drug info:

PubChemData

Smile

CCCCCCC(=O)CCC/C=C/C[C@@H]1[C@H](OC(O1)(C)C)[C@@](COCOC)(C(=O)OC)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations