Geometry & MOs

Info

ID:

120397

PubChem CID:

50725586

Reduced:

ClN6O6C37H45 (1)

Stoich.:

AB6C6D37E45 (1)

Weight, g/mol:

629.298012

ΔHf, kcal/mol:

-230.84

Dipole, Da:

7.96

IP(EA), eV:

 -8.62(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]-N-[1-(2,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)C)NC(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations