Geometry & MOs

Info

ID:

117057

PubChem CID:

50587138

Reduced:

ClO5N6C37H47 (1)

Stoich.:

AB5C6D37E47 (1)

Weight, g/mol:

748.351525

ΔHf, kcal/mol:

-216.85

Dipole, Da:

1.81

IP(EA), eV:

 -8.98(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-1-oxopropan-2-yl]-N-[1-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC(=C(C=C5)Cl)C(=O)NC6CCCC6

DOS

IR

Vibrations