Geometry & MOs

Info

ID:

181104

PubChem CID:

76715616

Reduced:

SN5O6C40H51 (1)

Stoich.:

AB5C6D40E51 (1)

Weight, g/mol:

606.195521

ΔHf, kcal/mol:

-171.37

Dipole, Da:

5.81

IP(EA), eV:

 -8.59(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(1,3-benzothiazol-2-yloxy)-14-[(4-chlorophenyl)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(=N2)OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)NC6=CC=CC=C6)C(=O)NS(=O)(=O)C7(CC7)C)C(C)C

DOS

IR

Vibrations