Geometry & MOs

Info

ID:

181208

PubChem CID:

76715721

Reduced:

SN3O5C40H43 (1)

Stoich.:

AB3C5D40E43 (1)

Weight, g/mol:

608.21565

ΔHf, kcal/mol:

-68.17

Dipole, Da:

7.1

IP(EA), eV:

 -8.75(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(1,3-benzothiazol-2-yloxy)-14-[(3,5-difluorophenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC=CC2CC2(CC(=O)C3CC(CN3C(=O)C(CC1)CCC4=CC=CC=C4)OC5=NC6=CC=CC=C6S5)C(=O)NOC7=CC=CC=C7

DOS

IR

Vibrations