Geometry & MOs

Info

ID:

164475

PubChem CID:

74403750

Reduced:

O7C26H38 (1)

Stoich.:

A7B26C38 (1)

Weight, g/mol:

699.398247

ΔHf, kcal/mol:

-306.45

Dipole, Da:

9.12

IP(EA), eV:

 -9.58(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(14-ethyl-13-hydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl)oxy]-6-methyl-4-pyrrolidin-1-yloxan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC1(C(CC(C2(C1CC(=O)C3(C2CCC4(C35C(O5)C(=O)OC4C6CCOC6)C)C)C)O)O)C

DOS

IR

Vibrations