Geometry & MOs

Info

ID:

111179

PubChem CID:

50355945

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-238.9

Dipole, Da:

5.69

IP(EA), eV:

 -8.73(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-1-[1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4)NC(=O)CC5=CC=C(C=C5)F)C

DOS

IR

Vibrations