Geometry & MOs

Info

ID:

119342

PubChem CID:

50679215

Reduced:

ClO5N6C31H39 (1)

Stoich.:

AB5C6D31E39 (1)

Weight, g/mol:

627.23791

ΔHf, kcal/mol:

-202.64

Dipole, Da:

6.96

IP(EA), eV:

 -9.16(-0.74)

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-(4-chloro-2-methylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCCCC2)Cl)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4C(=O)N

DOS

IR

Vibrations