Geometry & MOs

Info

ID:

181191

PubChem CID:

76715704

Reduced:

FSN4O6C41H51 (1)

Stoich.:

ABC4D6E41F51 (1)

Weight, g/mol:

672.319937

ΔHf, kcal/mol:

-221.37

Dipole, Da:

7.57

IP(EA), eV:

 -8.7(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzyl-18-(7-methoxy-2-phenylquinolin-4-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations