Geometry & MOs

Info

ID:

181094

PubChem CID:

76715606

Reduced:

FSN3O9C35H44 (1)

Stoich.:

ABC3D9E35F44 (1)

Weight, g/mol:

711.224835

ΔHf, kcal/mol:

-358.47

Dipole, Da:

2.84

IP(EA), eV:

 -9.04(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)OC4=NC5=C(O4)C=C(C=C5)F)C(=O)NS(=O)(=O)C6CC6

DOS

IR

Vibrations