Geometry & MOs

Info

ID:

100531

PubChem CID:

50062209

Reduced:

FN6O6C43H53 (1)

Stoich.:

AB6C6D43E53 (1)

Weight, g/mol:

728.369761

ΔHf, kcal/mol:

-278.93

Dipole, Da:

9.03

IP(EA), eV:

 -8.76(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(diethylcarbamoyl)-2-methoxyphenyl]-1-[1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)OC)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=CC(=C6)F)C)C

DOS

IR

Vibrations