Geometry & MOs

Info

ID:

100689

PubChem CID:

50063646

Reduced:

F2O5N6C40H46 (1)

Stoich.:

A2B5C6D40E46 (1)

Weight, g/mol:

667.297011

ΔHf, kcal/mol:

-272.3

Dipole, Da:

8.07

IP(EA), eV:

 -9.12(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2CCCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC(=C(C=C6)F)F)C

DOS

IR

Vibrations