Geometry & MOs

Info

ID:

113285

PubChem CID:

50438435

Reduced:

FO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-242.54

Dipole, Da:

6.89

IP(EA), eV:

 -8.83(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCCCC5)C

DOS

IR

Vibrations