Geometry & MOs

Info

ID:

114902

PubChem CID:

50501640

Reduced:

ClO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

663.262375

ΔHf, kcal/mol:

-174.63

Dipole, Da:

5.27

IP(EA), eV:

 -8.97(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[4-[(4-fluorobenzoyl)amino]-3-methoxyphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=CC(=C1NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC(C4)C)C

DOS

IR

Vibrations