Geometry & MOs

Info

ID:

108919

PubChem CID:

50264901

Reduced:

F4O4N5C35H37 (1)

Stoich.:

A4B4C5D35E37 (1)

Weight, g/mol:

704.349775

ΔHf, kcal/mol:

-331.1

Dipole, Da:

12.96

IP(EA), eV:

 -8.76(-0.49)

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-[1-[2-(dimethylcarbamoyl)-6-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(F)(F)F

DOS

IR

Vibrations