Geometry & MOs

Info

ID:

181151

PubChem CID:

76715663

Reduced:

SN3O9C36H47 (1)

Stoich.:

AB3C9D36E47 (1)

Weight, g/mol:

768.335685

ΔHf, kcal/mol:

-323.07

Dipole, Da:

7.08

IP(EA), eV:

 -9.2(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(4-fluoro-3-methylanilino)-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6CC6

DOS

IR

Vibrations