Geometry & MOs

Info

ID:

181064

PubChem CID:

76715576

Reduced:

N3F4O5C36H39 (1)

Stoich.:

A3B4C5D36E39 (1)

Weight, g/mol:

720.299299

ΔHf, kcal/mol:

-345.89

Dipole, Da:

9.36

IP(EA), eV:

 -8.73(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[14-anilino-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC6=CC(=CC(=C6)F)C(F)(F)F)C(=O)O

DOS

IR

Vibrations