Geometry & MOs

Info

ID:

448471

PubChem CID:

135291163

Reduced:

O3C13H24 (1)

Stoich.:

A3B13C24 (1)

Weight, g/mol:

625.361468

ΔHf, kcal/mol:

-180.94

Dipole, Da:

8.3

IP(EA), eV:

 -10.37(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R,12E,15E,18R,19S,20R,21S,24R)-1,19-dihydroxy-11-[(2R)-1-(3-hydroxyphenyl)butan-2-yl]-18,20,24-trimethyl-10,26-dioxa-3-azatricyclo[19.4.1.03,8]hexacosa-12,15-diene-2,9,25-trione

Drug info:

PubChemData

Smile

CC(C)CC(C)C(=O)C(C)CC(C)C(=O)O

DOS

IR

Vibrations