Geometry & MOs

Info

ID:

181162

PubChem CID:

76715674

Reduced:

FSN4O6C41H53 (1)

Stoich.:

ABC4D6E41F53 (1)

Weight, g/mol:

590.225072

ΔHf, kcal/mol:

-239.28

Dipole, Da:

2.98

IP(EA), eV:

 -8.87(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC=CC1CC1(CC(=O)C2CC(CN2C(=O)CCC3=CC(=CC(=C3)C)F)OC4=NC5=CC=CC=C5N4CC)C(=O)NS(=O)(=O)C6(CC6)C

DOS

IR

Vibrations