Geometry & MOs

Info

ID:

181056

PubChem CID:

76715568

Reduced:

S2N3O6C38H45 (1)

Stoich.:

A2B3C6D38E45 (1)

Weight, g/mol:

574.247915

ΔHf, kcal/mol:

-163.36

Dipole, Da:

8.2

IP(EA), eV:

 -9.07(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC6=CC=CC=C6)C(=O)NS(=O)(=O)C7(CC7)C

DOS

IR

Vibrations