Geometry & MOs

Info

ID:

119031

PubChem CID:

50668163

Reduced:

Cl2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

514.234683

ΔHf, kcal/mol:

-197.0

Dipole, Da:

8.73

IP(EA), eV:

 -8.45(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC(C)C)Cl)Cl

DOS

IR

Vibrations