Geometry & MOs

Info

ID:

219193

PubChem CID:

85091426

Reduced:

O21C27H46 (1)

Stoich.:

A21B27C46 (1)

Weight, g/mol:

706.317611

ΔHf, kcal/mol:

-948.44

Dipole, Da:

2.76

IP(EA), eV:

 -9.95(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5,9,13-trihydroxy-15-[(7-hydroxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)oxy]-19-methyl-19-(trifluoromethyl)-18,20-dioxapentacyclo[11.8.0.01,17.02,10.05,9]henicosan-6-yl]oxolan-2-one

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(COC(C2OC3C(C(C(C(O3)C)OC4C(C(C(CO4)O)OC5C(C(C(CO5)O)O)O)O)O)O)O)O)O)O)O

DOS

IR

Vibrations