Geometry & MOs

Info

ID:

181183

PubChem CID:

76715696

Reduced:

S2F3N5O8C48H56 (1)

Stoich.:

A2B3C5D8E48F56 (1)

Weight, g/mol:

884.365271

ΔHf, kcal/mol:

-355.94

Dipole, Da:

7.7

IP(EA), eV:

 -8.74(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[(4-fluoro-3-methylphenyl)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

CC1=C(C=CC2=C1N=C(C=C2OC3CC(N(C3)C(=O)C(CCCCCC=C)NC4=CC(=CC=C4)OC(F)(F)F)C(=O)CC5(CC5C=C)C(=O)NS(=O)(=O)C6CC6)C7=NC(=CS7)C(C)C)OC

DOS

IR

Vibrations