Geometry & MOs

Info

ID:

181139

PubChem CID:

76715651

Reduced:

SN5O6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

735.281207

ΔHf, kcal/mol:

-143.65

Dipole, Da:

4.22

IP(EA), eV:

 -9.12(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[(3-fluoro-5-methylphenyl)methyl]-18-[(6-methyl-1,3-benzothiazol-2-yl)oxy]-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=CN=C2)N=C1OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC6=CC=CC=C6)C(=O)NS(=O)(=O)C7(CC7)C

DOS

IR

Vibrations