Geometry & MOs

Info

ID:

117872

PubChem CID:

50618603

Reduced:

ClO5N6C31H39 (1)

Stoich.:

AB5C6D31E39 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-209.51

Dipole, Da:

5.14

IP(EA), eV:

 -8.87(-0.83)

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)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)C(=O)N4CCCC4

DOS

IR

Vibrations