Geometry & MOs

Info

ID:

108505

PubChem CID:

50248309

Reduced:

ClFO4N5C37H37 (1)

Stoich.:

ABC4D5E37F37 (1)

Weight, g/mol:

726.19769

ΔHf, kcal/mol:

-154.1

Dipole, Da:

4.52

IP(EA), eV:

 -8.93(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[4-[(2,4-difluorophenyl)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=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations