Geometry & MOs

Info

ID:

106321

PubChem CID:

50157391

Reduced:

FN6O6C41H49 (1)

Stoich.:

AB6C6D41E49 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-256.83

Dipole, Da:

13.36

IP(EA), eV:

 -8.76(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC(=CC=C6)F)OC)C

DOS

IR

Vibrations