Geometry & MOs

Info

ID:

111899

PubChem CID:

50385810

Reduced:

ClN6O6C36H41 (1)

Stoich.:

AB6C6D36E41 (1)

Weight, g/mol:

605.337733

ΔHf, kcal/mol:

-200.38

Dipole, Da:

3.41

IP(EA), eV:

 -8.79(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(3-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations