Geometry & MOs

Info

ID:

181202

PubChem CID:

76715715

Reduced:

FSN4O8C39H47 (1)

Stoich.:

ABC4D8E39F47 (1)

Weight, g/mol:

733.3197

ΔHf, kcal/mol:

-303.15

Dipole, Da:

3.52

IP(EA), eV:

 -8.88(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-14-[(2-methylphenyl)methyl]-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

CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)C3)OC(=O)N5CC6=C(C5)C(=CC=C6)F)NC7=CC=C(C=C7)OC

DOS

IR

Vibrations