Geometry & MOs

Info

ID:

91149

PubChem CID:

49973690

Reduced:

BrN5O5C31H38 (1)

Stoich.:

AB5C5D31E38 (1)

Weight, g/mol:

595.256147

ΔHf, kcal/mol:

-184.9

Dipole, Da:

6.03

IP(EA), eV:

 -9.02(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-1-[1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5Br

DOS

IR

Vibrations