Geometry & MOs

Info

ID:

91601

PubChem CID:

49977271

Reduced:

ClN6O6C35H47 (1)

Stoich.:

AB6C6D35E47 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-261.54

Dipole, Da:

7.0

IP(EA), eV:

 -8.98(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[2-methyl-6-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations