Geometry & MOs

Info

ID:

215124

PubChem CID:

85084194

Reduced:

ClSN3F6O9C26H28 (1)

Stoich.:

ABC3D6E9F26G28 (1)

Weight, g/mol:

708.262935

ΔHf, kcal/mol:

-650.5

Dipole, Da:

0.84

IP(EA), eV:

 -8.7(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 6,8-dihydroxy-3,7,11-trimethyl-4,13-dioxo-5,12-dioxatetracyclo[6.6.0.01,11.03,7]tetradecane-2-carboxylate

Drug info:

PubChemData

Smile

CC(CC1=CNC2=C1C=CC=C2OCC(=O)NS(=O)(=O)C)NCC(C3=CC(=CC=C3)Cl)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations