Geometry & MOs

Info

ID:

181180

PubChem CID:

76715693

Reduced:

FCl2S2N4O7C46H51 (1)

Stoich.:

AB2C2D4E7F46G51 (1)

Weight, g/mol:

707.249907

ΔHf, kcal/mol:

-240.34

Dipole, Da:

5.73

IP(EA), eV:

 -8.44(-0.91)

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-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(C=C2OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC6=CC(=C(C(=C6)Cl)Cl)F)C(=O)NS(=O)(=O)C7CC7)C8=NC(=CS8)C(C)C)OC

DOS

IR

Vibrations