Geometry & MOs

Info

ID:

97866

PubChem CID:

50036044

Reduced:

F2O5N6C38H38 (1)

Stoich.:

A2B5C6D38E38 (1)

Weight, g/mol:

635.291926

ΔHf, kcal/mol:

-223.01

Dipole, Da:

8.87

IP(EA), eV:

 -8.4(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations