Geometry & MOs

Info

ID:

181020

PubChem CID:

76715531

Reduced:

Cl2S2N3O6C37H41 (1)

Stoich.:

A2B2C3D6E37F41 (1)

Weight, g/mol:

866.374693

ΔHf, kcal/mol:

-175.11

Dipole, Da:

8.13

IP(EA), eV:

 -9.4(-0.86)

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-14-[(4-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)C3)OC5=NC6=CC=CC=C6S5)CC7=CC(=CC(=C7)Cl)Cl

DOS

IR

Vibrations