Geometry & MOs

Info

ID:

105754

PubChem CID:

50139377

Reduced:

ClO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

609.256289

ΔHf, kcal/mol:

-236.82

Dipole, Da:

5.73

IP(EA), eV:

 -8.69(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C5CCCCC5

DOS

IR

Vibrations