Geometry & MOs

Info

ID:

221543

PubChem CID:

85279369

Reduced:

ClNO23C48H50 (1)

Stoich.:

ABC23D48E50 (1)

Weight, g/mol:

1084.372952

ΔHf, kcal/mol:

-913.69

Dipole, Da:

8.75

IP(EA), eV:

 -8.87(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trichloroethyl 6-[1-[6-[1-[6-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-2-carbonyl]oxyethyl]-3-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-2-carbonyl]oxyethyl]-3-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-2-carboxylate

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)OCC6=CC(=C(C=C6)OC7C(C(C(C(O7)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)Cl)O

DOS

IR

Vibrations