Geometry & MOs

Info

ID:

90228

PubChem CID:

49967788

Reduced:

F2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-264.85

Dipole, Da:

12.4

IP(EA), eV:

 -8.91(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations