Geometry & MOs

Info

ID:

120370

PubChem CID:

50724694

Reduced:

Cl2O5N6C35H48 (1)

Stoich.:

A2B5C6D35E48 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-241.07

Dipole, Da:

4.96

IP(EA), eV:

 -8.78(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)NC(=O)C(C)C)Cl

DOS

IR

Vibrations