Geometry & MOs

Info

ID:

181079

PubChem CID:

76715591

Reduced:

FSN5O8C39H44 (1)

Stoich.:

ABC5D8E39F44 (1)

Weight, g/mol:

866.374693

ΔHf, kcal/mol:

-272.2

Dipole, Da:

4.38

IP(EA), eV:

 -9.2(-0.67)

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-[(3-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)OC(=O)N5CC6=C(C5)C(=CC=C6)F)NC7=NC8=CC=CC=C8O7

DOS

IR

Vibrations