Geometry & MOs

Info

ID:

106821

PubChem CID:

50177932

Reduced:

O5N6C37H52 (1)

Stoich.:

A5B6C37D52 (1)

Weight, g/mol:

700.394833

ΔHf, kcal/mol:

-226.87

Dipole, Da:

8.74

IP(EA), eV:

 -9.1(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4C)C(=O)NCC(C)C)C

DOS

IR

Vibrations