Geometry & MOs

Info

ID:

117483

PubChem CID:

50604275

Reduced:

Cl2O5N6C28H34 (1)

Stoich.:

A2B5C6D28E34 (1)

Weight, g/mol:

700.290674

ΔHf, kcal/mol:

-206.52

Dipole, Da:

4.39

IP(EA), eV:

 -9.25(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(cyclohexylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl

DOS

IR

Vibrations