Geometry & MOs

Info

ID:

116049

PubChem CID:

50544857

Reduced:

Cl2N5O5C33H43 (1)

Stoich.:

A2B5C5D33E43 (1)

Weight, g/mol:

637.339483

ΔHf, kcal/mol:

-216.97

Dipole, Da:

7.01

IP(EA), eV:

 -8.98(-0.63)

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-[1-(2-ethyl-6-methylanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)Cl)OC)Cl

DOS

IR

Vibrations