Geometry & MOs

Info

ID:

181028

PubChem CID:

76715540

Reduced:

SCl2N2O5C33H34 (1)

Stoich.:

AB2C2D5E33F34 (1)

Weight, g/mol:

726.290963

ΔHf, kcal/mol:

-142.14

Dipole, Da:

5.54

IP(EA), eV:

 -9.19(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(1,3-benzothiazol-2-yloxy)-14-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,15-dioxo-N-phenoxy-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(=C4)Cl)Cl)OC5=NC6=CC=CC=C6S5)C(=O)O

DOS

IR

Vibrations