Geometry & MOs

Info

ID:

46468

PubChem CID:

10524537

Reduced:

OCl2N3C20H23 (1)

Stoich.:

AB2C3D20E23 (1)

Weight, g/mol:

392.145759

ΔHf, kcal/mol:

-11.91

Dipole, Da:

4.26

IP(EA), eV:

 -9.41(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,8S,10S,11S,13R,14R,15S,17S)-8-fluoro-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-diene-14-carbothioic S-acid

Drug info:

PubChemData

Smile

C1CN(CCC1CNCCC2=CN=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations