Geometry & MOs

Info

ID:

109634

PubChem CID:

50292568

Reduced:

ClFN6O6C37H42 (1)

Stoich.:

ABC6D6E37F42 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-253.73

Dipole, Da:

9.27

IP(EA), eV:

 -8.79(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)C(=O)N5CCOCC5)Cl)C)F

DOS

IR

Vibrations