Geometry & MOs

Info

ID:

181123

PubChem CID:

76715635

Reduced:

ClSN3O5C39H40 (1)

Stoich.:

ABC3D5E39F40 (1)

Weight, g/mol:

725.240485

ΔHf, kcal/mol:

-60.23

Dipole, Da:

2.66

IP(EA), eV:

 -8.94(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(1,3-benzothiazol-2-yloxy)-14-[(3,5-difluorophenyl)methyl]-N-(1-methylcyclopropyl)sulfonyl-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=C4)OC5=NC6=C(S5)C=C(C=C6)Cl)C(=O)NOC7=CC=CC=C7

DOS

IR

Vibrations