Geometry & MOs

Info

ID:

109158

PubChem CID:

50275058

Reduced:

ClFN5O5C32H35 (1)

Stoich.:

ABC5D5E32F35 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-210.36

Dipole, Da:

5.63

IP(EA), eV:

 -8.89(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1-[1-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations