Geometry & MOs

Info

ID:

181845

PubChem CID:

76802481

Reduced:

O4N5C25H35 (1)

Stoich.:

A4B5C25D35 (1)

Weight, g/mol:

716.252743

ΔHf, kcal/mol:

-163.61

Dipole, Da:

4.64

IP(EA), eV:

 -8.88(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[2-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]acetyl]-1-[2-methyl-3-[methyl-(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidin-3-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCCC2CCC(N2C1=O)C(=O)NCC3=CC(=CC=C3)NC(=O)C=C)NC

DOS

IR

Vibrations