Geometry & MOs

Info

ID:

115784

PubChem CID:

50534015

Reduced:

Cl2O5N6C34H46 (1)

Stoich.:

A2B5C6D34E46 (1)

Weight, g/mol:

633.251811

ΔHf, kcal/mol:

-248.46

Dipole, Da:

4.09

IP(EA), eV:

 -8.46(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations