Geometry & MOs

Info

ID:

105018

PubChem CID:

50106172

Reduced:

F4O5N6C42H44 (1)

Stoich.:

A4B5C6D42E44 (1)

Weight, g/mol:

547.315855

ΔHf, kcal/mol:

-327.45

Dipole, Da:

10.32

IP(EA), eV:

 -8.87(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(cyclopentylcarbamoyl)phenyl]-1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations