Geometry & MOs

Info

ID:

181018

PubChem CID:

76715529

Reduced:

FS2N3O6C40H50 (1)

Stoich.:

AB2C3D6E40F50 (1)

Weight, g/mol:

852.359043

ΔHf, kcal/mol:

-244.84

Dipole, Da:

5.09

IP(EA), eV:

 -9.03(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropylsulfonyl-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-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

CCCCCCC=CC1CC1(CC(=O)C2CC(CN2C(=O)CCC3=CC(=CC(=C3)C)F)OC4=NC5=C(S4)C=C(C=C5)C)C(=O)NS(=O)(=O)C6(CC6)C

DOS

IR

Vibrations