Geometry & MOs

Info

ID:

108461

PubChem CID:

50246906

Reduced:

ClF2N6O6C37H41 (1)

Stoich.:

AB2C6D6E37F41 (1)

Weight, g/mol:

584.175724

ΔHf, kcal/mol:

-308.54

Dipole, Da:

8.26

IP(EA), eV:

 -8.9(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,5-dichlorophenyl)-1-[1-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations