Geometry & MOs

Info

ID:

181159

PubChem CID:

76715671

Reduced:

SF2N3O7C39H45 (1)

Stoich.:

AB2C3D7E39F45 (1)

Weight, g/mol:

496.203193

ΔHf, kcal/mol:

-318.19

Dipole, Da:

3.77

IP(EA), eV:

 -9.63(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(1,3-benzothiazol-2-yloxy)-14-methyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC(=O)N5CC6=C(C5)C(=CC=C6)F)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations