Geometry & MOs

Info

ID:

397766

PubChem CID:

135030704

Reduced:

ClO2F3S3C17H18 (1)

Stoich.:

AB2C3D3E17F18 (1)

Weight, g/mol:

575.309432

ΔHf, kcal/mol:

-242.41

Dipole, Da:

5.14

IP(EA), eV:

 -9.11(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4Z,7E)-8-[(2E,5S,6E,10S)-4,11-dihydroxy-12-methoxy-2,5,14-trimethyl-8-oxo-9,18-dioxa-20-azabicyclo[15.2.1]icosa-1(19),2,6,17(20)-tetraen-10-yl]-2-hydroxy-2,7-dimethylocta-4,7-dienoic acid

Drug info:

PubChemData

Smile

CC(=O)CC(C1=CC=C(C=C1)Cl)C2(SCCCS2)C(=O)SCC(F)(F)F

DOS

IR

Vibrations