Geometry & MOs

Info

ID:

113866

PubChem CID:

50462077

Reduced:

ClF4O4N5C33H34 (1)

Stoich.:

AB4C4D5E33F34 (1)

Weight, g/mol:

603.285698

ΔHf, kcal/mol:

-342.33

Dipole, Da:

9.31

IP(EA), eV:

 -9.19(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations