Geometry & MOs

Info

ID:

181111

PubChem CID:

76715623

Reduced:

SN3O8C37H43 (1)

Stoich.:

AB3C8D37E43 (1)

Weight, g/mol:

632.267999

ΔHf, kcal/mol:

-242.17

Dipole, Da:

2.19

IP(EA), eV:

 -8.99(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(dimethylsulfamoylcarbamoyl)-14-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)C2(CC2C=C)CC(=O)C3CC(CN3C(=O)OC(C)(C)C)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CC=CC=C6

DOS

IR

Vibrations