Geometry & MOs

Info

ID:

178843

PubChem CID:

76388512

Reduced:

O11C42H70 (1)

Stoich.:

A11B42C70 (1)

Weight, g/mol:

540.257062

ΔHf, kcal/mol:

-512.17

Dipole, Da:

5.1

IP(EA), eV:

 -9.74(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5,14-diacetyloxy-11-formyloxy-10-hydroxy-10,14-dimethyl-3-propan-2-ylspiro[15-oxatricyclo[6.6.1.02,7]pentadecane-6,2'-oxirane]-4-yl) acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC1CCC(C2C3C(C(C(C4(C3C(O2)CC1(C)O)CO4)OC(=O)C)OC(=O)C)C(C)C)(C)OC(=O)C

DOS

IR

Vibrations