Geometry & MOs

Info

ID:

215369

PubChem CID:

85084630

Reduced:

O25C33H56 (1)

Stoich.:

A25B33C56 (1)

Weight, g/mol:

852.450736

ΔHf, kcal/mol:

-1119.06

Dipole, Da:

5.67

IP(EA), eV:

 -10.15(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-hydroxy-2-(16-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl)oxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(COC(C2OC3C(C(C(C(O3)C)OC4C(C(C(CO4)O)O)O)OC5C(C(C(CO5)O)OC6C(C(C(CO6)O)O)O)O)O)OC)O)O)O)O

DOS

IR

Vibrations