Geometry & MOs

Info

ID:

105366

PubChem CID:

50107009

Reduced:

F3O4N5C28H34 (1)

Stoich.:

A3B4C5D28E34 (1)

Weight, g/mol:

648.287175

ΔHf, kcal/mol:

-321.12

Dipole, Da:

8.48

IP(EA), eV:

 -9.1(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations