Geometry & MOs

Info

ID:

181172

PubChem CID:

76715685

Reduced:

SN2O6C25H38 (1)

Stoich.:

AB2C6D25E38 (1)

Weight, g/mol:

870.349621

ΔHf, kcal/mol:

-242.6

Dipole, Da:

5.62

IP(EA), eV:

 -9.42(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[(3-fluorophenyl)methyl]-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-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

CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)OC)C(=O)NS(=O)(=O)C4(CC4)C

DOS

IR

Vibrations