Geometry & MOs

Info

ID:

181199

PubChem CID:

76715712

Reduced:

N3O5C42H45 (1)

Stoich.:

A3B5C42D45 (1)

Weight, g/mol:

604.240722

ΔHf, kcal/mol:

-61.49

Dipole, Da:

7.13

IP(EA), eV:

 -8.71(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC=CC6=CC=CC=C65)C(=O)NOC7=CC=CC=C7

DOS

IR

Vibrations