Geometry & MOs

Info

ID:

84407

PubChem CID:

49866314

Reduced:

SCl2N3O5C22H25 (1)

Stoich.:

AB2C3D5E22F25 (1)

Weight, g/mol:

714.16757

ΔHf, kcal/mol:

-185.54

Dipole, Da:

3.74

IP(EA), eV:

 -8.66(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(9R,10R)-3-bromo-2,8,8-trimethyl-4-oxo-9-[(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl]oxy-9,10-dihydropyrano[2,3-f]chromen-10-yl] (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C(=O)N(S(=O)(=O)N1C)COC(=O)CC2=CC=CC=C2NC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations