Geometry & MOs

Info

ID:

95138

PubChem CID:

50006598

Reduced:

ClN6O6C37H51 (1)

Stoich.:

AB6C6D37E51 (1)

Weight, g/mol:

722.392247

ΔHf, kcal/mol:

-270.76

Dipole, Da:

7.85

IP(EA), eV:

 -8.84(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-chloro-2-(cyclohexylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations