Geometry & MOs

Info

ID:

105012

PubChem CID:

50106161

Reduced:

FN2O2C14H15 (3)

Stoich.:

AB2C2D14E15 (3)

Weight, g/mol:

758.396725

ΔHf, kcal/mol:

-323.27

Dipole, Da:

4.61

IP(EA), eV:

 -8.99(-0.8)

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-[3-methyl-1-[2-methyl-6-(4-methylpiperidine-1-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)F)OC

DOS

IR

Vibrations