Geometry & MOs

Info

ID:

181135

PubChem CID:

76715647

Reduced:

N3O7C39H47 (1)

Stoich.:

A3B7C39D47 (1)

Weight, g/mol:

859.310713

ΔHf, kcal/mol:

-231.6

Dipole, Da:

9.01

IP(EA), eV:

 -8.67(-0.14)

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-(1,3-thiazol-2-ylmethyl)-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)OC4=NC5=CC=CC=C5N4CC6=CC=CC=C6)C(=O)O

DOS

IR

Vibrations