Geometry & MOs

Info

ID:

120581

PubChem CID:

50735558

Reduced:

ClO5N6C26H31 (1)

Stoich.:

AB5C6D26E31 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-200.54

Dipole, Da:

5.09

IP(EA), eV:

 -9.03(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]-N-[1-[3-chloro-4-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)C(=O)N)Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC=C3C(=O)N

DOS

IR

Vibrations