Geometry & MOs

Info

ID:

115469

PubChem CID:

50523901

Reduced:

Cl2O5N6C31H40 (1)

Stoich.:

A2B5C6D31E40 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-226.91

Dipole, Da:

3.84

IP(EA), eV:

 -9.07(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations