Geometry & MOs

Info

ID:

113468

PubChem CID:

50446910

Reduced:

ClFN6O6C40H46 (1)

Stoich.:

ABC6D6E40F46 (1)

Weight, g/mol:

758.335875

ΔHf, kcal/mol:

-261.71

Dipole, Da:

3.28

IP(EA), eV:

 -8.91(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(cyclopentylcarbamoyl)phenyl]-1-[1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)C(=O)N6CCOCC6)C

DOS

IR

Vibrations