Geometry & MOs

Info

ID:

161618

PubChem CID:

57392154

Reduced:

FSCl2N2O4H13C17 (1)

Stoich.:

ABC2D2E4F13G17 (1)

Weight, g/mol:

434.128487

ΔHf, kcal/mol:

-122.55

Dipole, Da:

1.62

IP(EA), eV:

 -9.82(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,11S,14R)-6-chloro-11,15,15-trimethyl-10,16,24-trioxahexacyclo[12.12.0.02,11.04,9.017,26.018,23]hexacosa-2,4(9),5,7,17(26),18,20,22-octaen-25-one

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)C1=CC=C(C=C1)Cl)(C2=NC(=NO2)C3=CC(=C(C=C3)F)Cl)O

DOS

IR

Vibrations