Geometry & MOs

Info

ID:

116218

PubChem CID:

50551568

Reduced:

ClFO5N6C34H42 (1)

Stoich.:

ABC5D6E34F42 (1)

Weight, g/mol:

710.335875

ΔHf, kcal/mol:

-249.93

Dipole, Da:

11.46

IP(EA), eV:

 -8.82(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-fluoro-3-(2-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)C)Cl

DOS

IR

Vibrations