Geometry & MOs

Info

ID:

97902

PubChem CID:

50036592

Reduced:

ClF3O4N5C33H35 (1)

Stoich.:

AB3C4D5E33F35 (1)

Weight, g/mol:

647.291926

ΔHf, kcal/mol:

-268.64

Dipole, Da:

4.83

IP(EA), eV:

 -9.05(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]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)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations