Geometry & MOs

Info

ID:

91261

PubChem CID:

49974675

Reduced:

N5O6C28H35 (1)

Stoich.:

A5B6C28D35 (1)

Weight, g/mol:

609.271797

ΔHf, kcal/mol:

-216.19

Dipole, Da:

7.88

IP(EA), eV:

 -9.05(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N)OC

DOS

IR

Vibrations