Geometry & MOs

Info

ID:

91857

PubChem CID:

49979685

Reduced:

FN6O6C40H47 (1)

Stoich.:

AB6C6D40E47 (1)

Weight, g/mol:

603.34207

ΔHf, kcal/mol:

-251.15

Dipole, Da:

5.89

IP(EA), eV:

 -8.27(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-1-[1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=CC=C6F)C

DOS

IR

Vibrations