Geometry & MOs

Info

ID:

117881

PubChem CID:

50619005

Reduced:

ClN6O6C31H41 (1)

Stoich.:

AB6C6D31E41 (1)

Weight, g/mol:

654.293261

ΔHf, kcal/mol:

-258.9

Dipole, Da:

6.03

IP(EA), eV:

 -8.1(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-[1-[4-(cyclohexanecarbonylamino)-3-methoxyanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)OC

DOS

IR

Vibrations