Geometry & MOs

Info

ID:

115735

PubChem CID:

50532260

Reduced:

ClN5O6C29H38 (1)

Stoich.:

AB5C6D29E38 (1)

Weight, g/mol:

609.308183

ΔHf, kcal/mol:

-238.02

Dipole, Da:

10.27

IP(EA), eV:

 -8.7(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-methyl-6-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)OC)OC)Cl

DOS

IR

Vibrations