Geometry & MOs

Info

ID:

105586

PubChem CID:

50126532

Reduced:

FO4N5C31H34 (1)

Stoich.:

AB4C5D31E34 (1)

Weight, g/mol:

706.304574

ΔHf, kcal/mol:

-156.68

Dipole, Da:

6.51

IP(EA), eV:

 -8.99(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)NC

DOS

IR

Vibrations