Geometry & MOs

Info

ID:

111257

PubChem CID:

50360128

Reduced:

ClN5O5C28H34 (1)

Stoich.:

AB5C5D28E34 (1)

Weight, g/mol:

597.271797

ΔHf, kcal/mol:

-193.75

Dipole, Da:

5.72

IP(EA), eV:

 -8.67(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(2-methylbutanoylamino)phenyl]-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)C)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations