Geometry & MOs

Info

ID:

163822

PubChem CID:

74380505

Reduced:

FSN5O8C38H52 (1)

Stoich.:

ABC5D8E38F52 (1)

Weight, g/mol:

654.342878

ΔHf, kcal/mol:

-365.3

Dipole, Da:

5.62

IP(EA), eV:

 -9.38(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[1-[2-cyclohexyl-4-(2,2-dimethylpropylamino)-4-oxobutanoyl]-4-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)CNC(=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