Geometry & MOs

Info

ID:

100123

PubChem CID:

50058594

Reduced:

F2O5N6C38H46 (1)

Stoich.:

A2B5C6D38E46 (1)

Weight, g/mol:

744.381075

ΔHf, kcal/mol:

-285.32

Dipole, Da:

2.47

IP(EA), eV:

 -9.14(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-6-(3-methylpiperidine-1-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC(C)C)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C

DOS

IR

Vibrations