Geometry & MOs

Info

ID:

97591

PubChem CID:

50032824

Reduced:

F3O5N6H37C38 (1)

Stoich.:

A3B5C6D37E38 (1)

Weight, g/mol:

641.262517

ΔHf, kcal/mol:

-265.25

Dipole, Da:

5.89

IP(EA), eV:

 -9.02(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=CC=C4)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations