Geometry & MOs

Info

ID:

102196

PubChem CID:

50065518

Reduced:

ClFN5O5C36H43 (1)

Stoich.:

ABC5D5E36F43 (1)

Weight, g/mol:

649.283111

ΔHf, kcal/mol:

-236.9

Dipole, Da:

1.86

IP(EA), eV:

 -8.6(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-chloroanilino)-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)OC)F

DOS

IR

Vibrations