Geometry & MOs

Info

ID:

116346

PubChem CID:

50557199

Reduced:

Cl2O5N6C29H34 (1)

Stoich.:

A2B5C6D29E34 (1)

Weight, g/mol:

636.282696

ΔHf, kcal/mol:

-196.86

Dipole, Da:

8.93

IP(EA), eV:

 -8.99(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-oxo-3-[3-(pyrrolidine-1-carbonyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N)Cl

DOS

IR

Vibrations