Geometry & MOs

Info

ID:

120273

PubChem CID:

50720704

Reduced:

ClN5O5C32H36 (1)

Stoich.:

AB5C5D32E36 (1)

Weight, g/mol:

664.257624

ΔHf, kcal/mol:

-163.79

Dipole, Da:

4.65

IP(EA), eV:

 -8.81(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[3-[(4-fluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)Cl)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=CC=C4)OC

DOS

IR

Vibrations