Geometry & MOs

Info

ID:

115275

PubChem CID:

50516266

Reduced:

Cl2O5N6C31H40 (1)

Stoich.:

A2B5C6D31E40 (1)

Weight, g/mol:

658.243724

ΔHf, kcal/mol:

-234.46

Dipole, Da:

5.37

IP(EA), eV:

 -8.59(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations