Geometry & MOs

Info

ID:	380229
PubChem CID:	134970605
Reduced:	SO2C10H14 (1)
Stoich.:	AB2C10D14 (1)
Weight, g/mol:	629.19882
ΔH_f, kcal/mol:	-89.97
Dipole, Da:	2.04
IP(EA), eV:	-9.34(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S)-3-[(5S,6R)-3-(1-bromo-3-phenylpropan-2-yl)-5-methyl-2,4-dioxo-1,3-oxazinan-6-yl]-1-[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]butan-2-yl] benzoate

Drug info:

PubChemData

Smile

CCC1=C(C=C(S1)C)C(=O)OCC

DOS

IR

Vibrations