Geometry & MOs

Info

ID:

426313

PubChem CID:

135143320

Reduced:

SO7C15H18 (1)

Stoich.:

AB7C15D18 (1)

Weight, g/mol:

898.48026

ΔHf, kcal/mol:

-278.03

Dipole, Da:

3.2

IP(EA), eV:

 -10.33(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-14-hydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-2,3,10,16-tetraoxo-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-en-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)OC(C)(C)C(=O)C1=CC=C(C=C1)S(=O)(=O)C

DOS

IR

Vibrations