Geometry & MOs

Info

ID:

108123

PubChem CID:

50230847

Reduced:

ClO3F4N4C31H31 (1)

Stoich.:

AB3C4D4E31F31 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-294.41

Dipole, Da:

9.89

IP(EA), eV:

 -8.7(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[5-[(3-fluoro-4-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)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

DOS

IR

Vibrations