Geometry & MOs

Info

ID:

111675

PubChem CID:

50377345

Reduced:

FN6O6C40H49 (1)

Stoich.:

AB6C6D40E49 (1)

Weight, g/mol:

648.363533

ΔHf, kcal/mol:

-273.13

Dipole, Da:

1.7

IP(EA), eV:

 -8.24(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[4-(propylcarbamoyl)anilino]butan-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=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)F)OC)C(=O)NC5CCCCC5

DOS

IR

Vibrations