Geometry & MOs

Info

ID:

181027

PubChem CID:

76715539

Reduced:

S2N4O7C38H44 (1)

Stoich.:

A2B4C7D38E44 (1)

Weight, g/mol:

640.156549

ΔHf, kcal/mol:

-185.77

Dipole, Da:

4.26

IP(EA), eV:

 -9.13(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N(CC1=CC=CC=C1)C2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=CC=CC=C6S5)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations