Geometry & MOs

Info

ID:	163098
PubChem CID:	57639702
Reduced:	ClON3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	486.30128
ΔH_f, kcal/mol:	46.87
Dipole, Da:	4.71
IP(EA), eV:	-8.86(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4S,5S)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-bis(hydroxymethyl)-1-[(2R,3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]nonane-3,7-dione

Drug info:

PubChemData

Smile

CC(C)CN1C2=C(C=C(C=C2)OC3=CC=CC=C3CNCl)C=N1

DOS

IR

Vibrations