Geometry & MOs

Info

ID:

163821

PubChem CID:

74380504

Reduced:

FS2N6O10C41H59 (1)

Stoich.:

AB2C6D10E41F59 (1)

Weight, g/mol:

757.352063

ΔHf, kcal/mol:

-440.81

Dipole, Da:

13.52

IP(EA), eV:

 -9.43(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-cyclohexyl-4-(2,2-dimethylpropylamino)-4-oxobutanoyl]-5-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(CN(C)S(=O)(=O)C)NC(=O)CC(C1CCCCC1)C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)OC(=O)N5CC6=C(C5)C(=CC=C6)F

DOS

IR

Vibrations