Geometry & MOs

Info

ID:

181069

PubChem CID:

76715581

Reduced:

S2N6O7C46H56 (1)

Stoich.:

A2B6C7D46E56 (1)

Weight, g/mol:

602.245058

ΔHf, kcal/mol:

-184.08

Dipole, Da:

4.96

IP(EA), eV:

 -8.37(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(C=C2OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)NC6=CC=CC=C6)C(=O)NS(=O)(=O)N7CCCC7)C8=NC(=CS8)C(C)C)OC

DOS

IR

Vibrations