Geometry & MOs

Info

ID:

181089

PubChem CID:

76715601

Reduced:

SN6O8C37H54 (1)

Stoich.:

AB6C8D37E54 (1)

Weight, g/mol:

907.326026

ΔHf, kcal/mol:

-314.87

Dipole, Da:

4.56

IP(EA), eV:

 -8.64(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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-14-[(3,4,5-trifluorophenyl)methyl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1C2=CC=CC=C2N=C1OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)N(C)C

DOS

IR

Vibrations