Geometry & MOs

Info

ID:

113615

PubChem CID:

50452118

Reduced:

FO5N6C41H45 (1)

Stoich.:

AB5C6D41E45 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-207.94

Dipole, Da:

5.0

IP(EA), eV:

 -8.75(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-[(3-fluorophenyl)carbamoyl]anilino]-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)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations