Geometry & MOs

Info

ID:

49294

PubChem CID:

11532672

Reduced:

NOC15H19 (2)

Stoich.:

ABC15D19 (2)

Weight, g/mol:

458.33961

ΔHf, kcal/mol:

-11.94

Dipole, Da:

4.21

IP(EA), eV:

 -8.29(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,5S,6S,9S,11S,14R,15S,18R,19R,23R)-23-(2-ethyl-3-methylbutyl)-9-hydroxy-6-methyl-21,22-dioxahexacyclo[17.2.2.02,15.02,18.05,14.06,11]tricosan-20-one

Drug info:

PubChemData

Smile

CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3

DOS

IR

Vibrations