Geometry & MOs

Info

ID:

92151

PubChem CID:

49983368

Reduced:

ClO5N6C40H47 (1)

Stoich.:

AB5C6D40E47 (1)

Weight, g/mol:

696.343547

ΔHf, kcal/mol:

-181.54

Dipole, Da:

8.03

IP(EA), eV:

 -8.57(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(4-fluorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=CC=C6C)Cl

DOS

IR

Vibrations