Geometry & MOs

Info

ID:

1834

PubChem CID:

5150

Reduced:

O11C42H69 (1)

Stoich.:

A11B42C69 (1)

Weight, g/mol:

749.483988

ΔHf, kcal/mol:

-557.3

Dipole, Da:

7.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755237

Charge, e:

 -1

Chem-info

IUPAC name:

2-[6-[6-[3-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoate

Drug info:

PubChemData

Smile

CCC(C1CCC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)O)C)C)O)C)C(=O)[O-]

DOS

IR

Vibrations