Geometry & MOs

Info

ID:

112965

PubChem CID:

50427625

Reduced:

F2O5N6C40H48 (1)

Stoich.:

A2B5C6D40E48 (1)

Weight, g/mol:

593.22051

ΔHf, kcal/mol:

-283.94

Dipole, Da:

3.92

IP(EA), eV:

 -8.97(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-carbamoyl-5-chlorophenyl)-1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)F)F)C(=O)NC5CCCCC5

DOS

IR

Vibrations