Geometry & MOs

Info

ID:

181155

PubChem CID:

76715667

Reduced:

SF2N3O5C39H39 (1)

Stoich.:

AB2C3D5E39F39 (1)

Weight, g/mol:

842.318321

ΔHf, kcal/mol:

-146.84

Dipole, Da:

3.23

IP(EA), eV:

 -8.91(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[(3-fluoro-5-methylphenyl)methyl]-18-[7-methoxy-8-methyl-2-(1,3-thiazol-2-yl)quinolin-4-yl]oxy-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)F)OC5=NC6=C(S5)C=C(C=C6)F)C(=O)NOC7=CC=CC=C7

DOS

IR

Vibrations