Geometry & MOs

Info

ID:

118356

PubChem CID:

50639295

Reduced:

Cl2O5N6C29H36 (1)

Stoich.:

A2B5C6D29E36 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-215.87

Dipole, Da:

2.03

IP(EA), eV:

 -9.14(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[3-(dimethylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations