Geometry & MOs

Info

ID:

181157

PubChem CID:

76715669

Reduced:

FS2N4O7C46H53 (1)

Stoich.:

AB2C4D7E46F53 (1)

Weight, g/mol:

683.302907

ΔHf, kcal/mol:

-225.81

Dipole, Da:

3.55

IP(EA), eV:

 -8.47(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzyl-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-18-quinolin-2-yloxy-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)CC6=CC(=CC=C6)F)C(=O)NS(=O)(=O)C7CC7)C8=NC(=CS8)C(C)C)OC

DOS

IR

Vibrations