Geometry & MOs

Info

ID:

99860

PubChem CID:

50055682

Reduced:

F3O5N6C41H41 (1)

Stoich.:

A3B5C6D41E41 (1)

Weight, g/mol:

752.349775

ΔHf, kcal/mol:

-273.91

Dipole, Da:

13.15

IP(EA), eV:

 -8.84(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(5-fluoro-2-methylphenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]-1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=CC=C6F)F)C)F

DOS

IR

Vibrations