Geometry & MOs

Info

ID:

113225

PubChem CID:

50436406

Reduced:

ClFO4N5C33H37 (1)

Stoich.:

ABC4D5E33F37 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-180.87

Dipole, Da:

9.32

IP(EA), eV:

 -8.97(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-carbamoyl-5-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(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=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C(=O)N(C)C)Cl)C

DOS

IR

Vibrations