Geometry & MOs

Info

ID:	44470
PubChem CID:	10503681
Reduced:	SO4N5H19C22 (1)
Stoich.:	AB4C5D19E22 (1)
Weight, g/mol:	449.204967
ΔH_f, kcal/mol:	-30.09
Dipole, Da:	10.1
IP(EA), eV:	-9.2(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4S,5R)-4-[(1R)-1-acetyloxy-2-[(2S,3R)-3-(diethylcarbamoyl)oxiran-2-yl]ethyl]-2-phenyl-1,3-dioxan-5-yl] acetate

Drug info:

PubChemData

Smile

CN1C(=O)C(=C(N=C1NN2C(SCC2=O)C3=CC=CC=C3O)C4=CC=C(C=C4)OC)C#N

DOS

IR

Vibrations