Geometry & MOs

Info

ID:

181075

PubChem CID:

76715587

Reduced:

S2N6O8C47H54 (1)

Stoich.:

A2B6C8D47E54 (1)

Weight, g/mol:

915.373313

ΔHf, kcal/mol:

-177.54

Dipole, Da:

4.15

IP(EA), eV:

 -8.66(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[(4-tert-butyl-1,3-thiazol-2-yl)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=C2OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)NC6=NC7=CC=CC=C7O6)C(=O)NS(=O)(=O)C8(CC8)C)C9=NC(=CS9)C(C)C)OC

DOS

IR

Vibrations