Geometry & MOs

Info

ID:

329241

PubChem CID:

126732935

Reduced:

FNSO4C11H14 (1)

Stoich.:

ABCD4E11F14 (1)

Weight, g/mol:

523.329774

ΔHf, kcal/mol:

-215.95

Dipole, Da:

5.05

IP(EA), eV:

 -9.75(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,2R,5S,10S,11R,15S,22S,23R)-22-(hydroxymethyl)-1,2,8,8,15,22-hexamethyl-12-oxo-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1O)F)C(=O)NS(=O)(=O)C

DOS

IR

Vibrations