Geometry & MOs

Info

ID:

115154

PubChem CID:

50511474

Reduced:

ClFO5N6C41H44 (1)

Stoich.:

ABC5D6E41F44 (1)

Weight, g/mol:

684.259374

ΔHf, kcal/mol:

-211.64

Dipole, Da:

9.05

IP(EA), eV:

 -8.7(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-chloro-3-(3-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5C)Cl)C)F

DOS

IR

Vibrations