Geometry & MOs

Info

ID:

118269

PubChem CID:

50636550

Reduced:

ClFO5N6C40H48 (1)

Stoich.:

ABC5D6E40F48 (1)

Weight, g/mol:

686.275024

ΔHf, kcal/mol:

-242.6

Dipole, Da:

9.79

IP(EA), eV:

 -9.05(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(propylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations