Geometry & MOs

Info

ID:

115454

PubChem CID:

50523409

Reduced:

ClN5O5C33H44 (1)

Stoich.:

AB5C5D33E44 (1)

Weight, g/mol:

633.271797

ΔHf, kcal/mol:

-219.08

Dipole, Da:

11.03

IP(EA), eV:

 -8.33(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[(4-methoxybenzoyl)amino]-4-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4CCCCC4)Cl

DOS

IR

Vibrations