Geometry & MOs

Info

ID:

113115

PubChem CID:

50431349

Reduced:

FO5N6C43H49 (1)

Stoich.:

AB5C6D43E49 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-208.5

Dipole, Da:

4.74

IP(EA), eV:

 -8.87(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[2-[(3,4-difluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC(=C2NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5)C)F

DOS

IR

Vibrations