Geometry & MOs

Info

ID:

119082

PubChem CID:

50669530

Reduced:

Cl2O5N6C29H34 (1)

Stoich.:

A2B5C6D29E34 (1)

Weight, g/mol:

698.275024

ΔHf, kcal/mol:

-209.54

Dipole, Da:

8.66

IP(EA), eV:

 -9.03(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-(cyclohexanecarbonylamino)anilino]-2-oxoethyl]-1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)Cl)C(=O)N

DOS

IR

Vibrations