Geometry & MOs

Info

ID:

113970

PubChem CID:

50466636

Reduced:

FN6O6C40H49 (1)

Stoich.:

AB6C6D40E49 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-277.6

Dipole, Da:

8.86

IP(EA), eV:

 -8.85(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(4-fluoro-2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[1-[3-[(3-fluorophenyl)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)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)OC)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations