Geometry & MOs

Info

ID:

112024

PubChem CID:

50392457

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

577.32642

ΔHf, kcal/mol:

-227.9

Dipole, Da:

12.92

IP(EA), eV:

 -8.93(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCC(CC4)C

DOS

IR

Vibrations