Geometry & MOs

Info

ID:

108356

PubChem CID:

50242385

Reduced:

FO4N5C37H44 (1)

Stoich.:

AB4C5D37E44 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-195.7

Dipole, Da:

7.99

IP(EA), eV:

 -8.8(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCC5)C)C

DOS

IR

Vibrations