Geometry & MOs

Info

ID:

119420

PubChem CID:

50684263

Reduced:

ClF2N5O5C33H34 (1)

Stoich.:

AB2C5D5E33F34 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-244.55

Dipole, Da:

3.57

IP(EA), eV:

 -9.23(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCOCC2)Cl)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations