Geometry & MOs

Info

ID:

398263

PubChem CID:

135032573

Reduced:

NOC10H10 (2)

Stoich.:

ABC10D10 (2)

Weight, g/mol:

640.200335

ΔHf, kcal/mol:

9.86

Dipole, Da:

3.68

IP(EA), eV:

 -8.4(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,4R,5S)-2-[[(6S,8S,8aR)-7-acetyloxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,5,6-triacetyloxyoxan-4-yl] acetate

Drug info:

PubChemData

Smile

CCCC[C@@]1(C(=O)C2=CC=CC=C2N1O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations