Geometry & MOs

Info

ID:

111259

PubChem CID:

50360130

Reduced:

ClN5O5C33H42 (1)

Stoich.:

AB5C5D33E42 (1)

Weight, g/mol:

578.285283

ΔHf, kcal/mol:

-211.72

Dipole, Da:

5.7

IP(EA), eV:

 -8.56(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-acetamidoanilino)-2-oxoethyl]-1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4CCCCC4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations