Geometry & MOs

Info

ID:

185266

PubChem CID:

77278501

Reduced:

FSO3N4C21H21 (1)

Stoich.:

ABC3D4E21F21 (1)

Weight, g/mol:

708.274147

ΔHf, kcal/mol:

-61.94

Dipole, Da:

5.67

IP(EA), eV:

 -8.71(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-(3-cyanoanilino)-3-methylbutanoyl]-5-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]pyrrolidin-3-yl]-4-fluoro-1,3-dihydroisoindole-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C2=CC3C(NNC3S2)NC(=O)CC4=CC=CC=C4F

DOS

IR

Vibrations