Geometry & MOs

Info

ID:

181216

PubChem CID:

76715942

Reduced:

FN2O5C26H33 (1)

Stoich.:

AB2C5D26E33 (1)

Weight, g/mol:

789.344772

ΔHf, kcal/mol:

-235.64

Dipole, Da:

6.84

IP(EA), eV:

 -9.16(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzyl-18-(7-methoxy-2-phenylquinolin-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=CC(=CC(=C1)F)NC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)O)C(=O)O

DOS

IR

Vibrations