Geometry & MOs

Info

ID:

59396

PubChem CID:

24853200

Reduced:

F3N4O8C37H43 (1)

Stoich.:

A3B4C8D37E43 (1)

Weight, g/mol:

434.149616

ΔHf, kcal/mol:

-422.53

Dipole, Da:

4.38

IP(EA), eV:

 -9.46(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3'R,4S,4'S,5'S,6'R)-7-chloro-6-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[2,3-dihydrochromene-4,2'-oxane]-3',4',5'-triol

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)NC(CC1=CC=C(C=C1)C2=CN=CC=C2)C(CN(CC3=CC(=C(C=C3F)F)F)NC(=O)OC4COC5C4CCO5)O)C(=O)OC

DOS

IR

Vibrations