Geometry & MOs

Info

ID:

116728

PubChem CID:

50572882

Reduced:

ClO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

597.308183

ΔHf, kcal/mol:

-212.8

Dipole, Da:

4.74

IP(EA), eV:

 -8.77(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-N-[1-(2,6-dimethylanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C)C)Cl

DOS

IR

Vibrations