Geometry & MOs

Info

ID:

94639

PubChem CID:

50002863

Reduced:

F2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-278.27

Dipole, Da:

8.55

IP(EA), eV:

 -9.0(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methyl-6-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)F)C

DOS

IR

Vibrations