Geometry & MOs

Info

ID:

99086

PubChem CID:

50048192

Reduced:

ClF4O4N5C35H38 (1)

Stoich.:

AB4C4D5E35F38 (1)

Weight, g/mol:

645.332648

ΔHf, kcal/mol:

-348.51

Dipole, Da:

3.77

IP(EA), eV:

 -9.1(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(4-fluoro-2-methylphenyl)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)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

DOS

IR

Vibrations