Geometry & MOs

Info

ID:

102195

PubChem CID:

50065515

Reduced:

ClFO4N5C36H43 (1)

Stoich.:

ABC4D5E36F43 (1)

Weight, g/mol:

679.293675

ΔHf, kcal/mol:

-202.01

Dipole, Da:

5.72

IP(EA), eV:

 -8.73(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations