Geometry & MOs

Info

ID:

113981

PubChem CID:

50467024

Reduced:

N6O6C43H48 (1)

Stoich.:

A6B6C43D48 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-189.62

Dipole, Da:

11.65

IP(EA), eV:

 -8.7(-0.34)

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-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC=CC=C6C)OC

DOS

IR

Vibrations