Geometry & MOs

Info

ID:

99649

PubChem CID:

50053488

Reduced:

F2N6O6C37H42 (1)

Stoich.:

A2B6C6D37E42 (1)

Weight, g/mol:

744.381075

ΔHf, kcal/mol:

-296.71

Dipole, Da:

12.79

IP(EA), eV:

 -8.93(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[4-(3-methylpiperidine-1-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations