Geometry & MOs

Info

ID:

96000

PubChem CID:

50018284

Reduced:

FO5N6C44H55 (1)

Stoich.:

AB5C6D44E55 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-248.39

Dipole, Da:

4.89

IP(EA), eV:

 -9.05(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(butan-2-ylcarbamoyl)-2-methylphenyl]-1-[1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NCC6=CC=C(C=C6)F)C)C

DOS

IR

Vibrations