Geometry & MOs

Info

ID:

115435

PubChem CID:

50522804

Reduced:

ClN6O6C36H43 (1)

Stoich.:

AB6C6D36E43 (1)

Weight, g/mol:

573.275133

ΔHf, kcal/mol:

-226.78

Dipole, Da:

6.91

IP(EA), eV:

 -8.34(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC(C)C)OC

DOS

IR

Vibrations