Geometry & MOs

Info

ID:

118675

PubChem CID:

50654157

Reduced:

ClN6O6C36H47 (1)

Stoich.:

AB6C6D36E47 (1)

Weight, g/mol:

632.228074

ΔHf, kcal/mol:

-252.11

Dipole, Da:

11.43

IP(EA), eV:

 -8.43(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC(C5)C)Cl)OC

DOS

IR

Vibrations