Geometry & MOs

Info

ID:

181053

PubChem CID:

76715565

Reduced:

FSN4O6C41H51 (1)

Stoich.:

ABC4D6E41F51 (1)

Weight, g/mol:

882.380841

ΔHf, kcal/mol:

-217.83

Dipole, Da:

5.82

IP(EA), eV:

 -8.78(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-anilino-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxo-N-piperidin-1-ylsulfonyl-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=CC=CC=C6N5C(C)C)C(=O)NS(=O)(=O)C7(CC7)C)F

DOS

IR

Vibrations