Geometry & MOs

Info

ID:

99820

PubChem CID:

50055230

Reduced:

ClF2N6O6C38H41 (1)

Stoich.:

AB2C6D6E38F41 (1)

Weight, g/mol:

748.295152

ΔHf, kcal/mol:

-292.1

Dipole, Da:

1.65

IP(EA), eV:

 -9.08(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(cyclopentylcarbamoyl)phenyl]-1-[1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N6CCOCC6)Cl

DOS

IR

Vibrations