Geometry & MOs

Info

ID:

95361

PubChem CID:

50008740

Reduced:

ClO5N6C27H33 (1)

Stoich.:

AB5C6D27E33 (1)

Weight, g/mol:

547.17531

ΔHf, kcal/mol:

-197.71

Dipole, Da:

3.87

IP(EA), eV:

 -8.54(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations