Geometry & MOs

Info

ID:

119317

PubChem CID:

50678020

Reduced:

ClN5O5C33H42 (1)

Stoich.:

AB5C5D33E42 (1)

Weight, g/mol:

615.242389

ΔHf, kcal/mol:

-201.86

Dipole, Da:

4.29

IP(EA), eV:

 -8.88(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(2,5-difluorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)Cl

DOS

IR

Vibrations