Geometry & MOs

Info

ID:

108630

PubChem CID:

50252129

Reduced:

ClFO5N6C36H42 (1)

Stoich.:

ABC5D6E36F42 (1)

Weight, g/mol:

752.349775

ΔHf, kcal/mol:

-236.07

Dipole, Da:

8.31

IP(EA), eV:

 -8.81(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-benzamido-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NC(C)C)Cl)C

DOS

IR

Vibrations