Geometry & MOs

Info

ID:

116556

PubChem CID:

50565660

Reduced:

ClN6O6C39H53 (1)

Stoich.:

AB6C6D39E53 (1)

Weight, g/mol:

750.387161

ΔHf, kcal/mol:

-266.53

Dipole, Da:

7.23

IP(EA), eV:

 -8.7(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)NC2CCCC2)OC)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCCC5

DOS

IR

Vibrations