Geometry & MOs

Info

ID:

116083

PubChem CID:

50546070

Reduced:

Cl2O5N6C33H40 (1)

Stoich.:

A2B5C6D33E40 (1)

Weight, g/mol:

636.282696

ΔHf, kcal/mol:

-208.19

Dipole, Da:

10.04

IP(EA), eV:

 -8.84(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations