Geometry & MOs

Info

ID:

94217

PubChem CID:

49999115

Reduced:

ClO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-228.47

Dipole, Da:

12.74

IP(EA), eV:

 -8.78(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[5-chloro-2-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC(C)CC)C

DOS

IR

Vibrations