Geometry & MOs

Info

ID:

108924

PubChem CID:

50265086

Reduced:

ClO4N5C37H38 (1)

Stoich.:

AB4C5D37E38 (1)

Weight, g/mol:

744.381075

ΔHf, kcal/mol:

-112.68

Dipole, Da:

7.63

IP(EA), eV:

 -8.52(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[2-methyl-6-(piperidine-1-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations