Geometry & MOs

Info

ID:

181163

PubChem CID:

76715675

Reduced:

FSN2O5C33H35 (1)

Stoich.:

ABC2D5E33F35 (1)

Weight, g/mol:

703.274979

ΔHf, kcal/mol:

-169.37

Dipole, Da:

5.8

IP(EA), eV:

 -9.24(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC=CC2CC2(CC(=O)C3CC(CN3C(=O)C(CC1)CC4=CC=CC=C4F)OC5=NC6=CC=CC=C6S5)C(=O)O

DOS

IR

Vibrations