Geometry & MOs

Info

ID:

113299

PubChem CID:

50438831

Reduced:

ClF2O5N6C38H43 (1)

Stoich.:

AB2C5D6E38F43 (1)

Weight, g/mol:

594.16418

ΔHf, kcal/mol:

-282.31

Dipole, Da:

4.26

IP(EA), eV:

 -9.09(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-bromophenyl)-1-[1-[3-[(5-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)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)C(=O)NC(C)C)Cl)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations