Geometry & MOs

Info

ID:

114288

PubChem CID:

50477731

Reduced:

ClFO5N6C37H42 (1)

Stoich.:

ABC5D6E37F42 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-233.0

Dipole, Da:

4.97

IP(EA), eV:

 -9.09(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(propanoylamino)phenyl]-1-[1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)C(=O)NC4CCCC4)Cl)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations