Geometry & MOs

Info

ID:

120469

PubChem CID:

50729047

Reduced:

Cl2O5N6C31H40 (1)

Stoich.:

A2B5C6D31E40 (1)

Weight, g/mol:

646.243724

ΔHf, kcal/mol:

-219.3

Dipole, Da:

9.21

IP(EA), eV:

 -8.99(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations