Geometry & MOs

Info

ID:

49685

PubChem CID:

11533546

Reduced:

SCl2N3O4C23H23 (1)

Stoich.:

AB2C3D4E23F23 (1)

Weight, g/mol:

508.194462

ΔHf, kcal/mol:

-121.28

Dipole, Da:

3.07

IP(EA), eV:

 -8.67(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R)-3,5-dihydroxy-2-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy]oxan-4-yl]oxy-6-methyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1CN(C[C@H]1CC2=CC=CC=C2)C(=O)C[C@@H]3C(=O)NC=CN3S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations