Geometry & MOs

Info

ID:

110627

PubChem CID:

50332896

Reduced:

FO4N5C34H46 (1)

Stoich.:

AB4C5D34E46 (1)

Weight, g/mol:

738.390497

ΔHf, kcal/mol:

-219.47

Dipole, Da:

5.23

IP(EA), eV:

 -8.85(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]-1-[1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCCCC4)F

DOS

IR

Vibrations