Geometry & MOs

Info

ID:

105364

PubChem CID:

50107006

Reduced:

Cl2O4N5C27H33 (1)

Stoich.:

A2B4C5D27E33 (1)

Weight, g/mol:

553.290034

ΔHf, kcal/mol:

-175.06

Dipole, Da:

5.32

IP(EA), eV:

 -9.13(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-(2,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations