Geometry & MOs

Info

ID:

119265

PubChem CID:

50675681

Reduced:

Cl2O5N6C30H36 (1)

Stoich.:

A2B5C6D30E36 (1)

Weight, g/mol:

658.243724

ΔHf, kcal/mol:

-205.81

Dipole, Da:

6.48

IP(EA), eV:

 -9.11(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N)Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl

DOS

IR

Vibrations