Geometry & MOs

Info

ID:

59811

PubChem CID:

24898019

Reduced:

SN3O3Cl4C20H31 (1)

Stoich.:

AB3C3D4E20F31 (1)

Weight, g/mol:

706.393237

ΔHf, kcal/mol:

-192.54

Dipole, Da:

3.28

IP(EA), eV:

 -9.28(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,6S)-2-[(2R,3R,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylmethoxyoxan-3-yl]oxy-2-methyloxan-4-yl]oxy-6-methyl-2H-pyran-5-one

Drug info:

PubChemData

Smile

C[C@@H](C[C@@H](C1=NC=CS1)N(C)C(=O)[C@H](C[C@H](C)C(Cl)Cl)NC(=O)OC(C)(C)C)C(Cl)Cl

DOS

IR

Vibrations