Geometry & MOs

Info

ID:

115022

PubChem CID:

50506266

Reduced:

Cl2O5N6C30H36 (1)

Stoich.:

A2B5C6D30E36 (1)

Weight, g/mol:

658.243724

ΔHf, kcal/mol:

-192.07

Dipole, Da:

8.67

IP(EA), eV:

 -8.94(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N(C)C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations