Geometry & MOs

Info

ID:

98025

PubChem CID:

50038243

Reduced:

ClF4O4N5C33H34 (1)

Stoich.:

AB4C4D5E33F34 (1)

Weight, g/mol:

685.287589

ΔHf, kcal/mol:

-343.78

Dipole, Da:

10.97

IP(EA), eV:

 -8.58(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations