Geometry & MOs

Info

ID:

116811

PubChem CID:

50576423

Reduced:

ClN6O6C34H43 (1)

Stoich.:

AB6C6D34E43 (1)

Weight, g/mol:

640.313996

ΔHf, kcal/mol:

-237.73

Dipole, Da:

5.38

IP(EA), eV:

 -9.02(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-N-[1-[4-methyl-3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C(=O)N2CCCC2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations