Geometry & MOs

Info

ID:

181193

PubChem CID:

76715706

Reduced:

FSN4O7C39H47 (1)

Stoich.:

ABC4D7E39F47 (1)

Weight, g/mol:

616.260708

ΔHf, kcal/mol:

-267.13

Dipole, Da:

6.91

IP(EA), eV:

 -8.6(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[(6-methoxy-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=C(C=C1)NC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC(=O)N5CC6=C(C5)C(=CC=C6)F)C(=O)NS(=O)(=O)C7(CC7)C

DOS

IR

Vibrations