Geometry & MOs

Info

ID:

112181

PubChem CID:

50398134

Reduced:

O5N6C42H58 (1)

Stoich.:

A5B6C42D58 (1)

Weight, g/mol:

714.410483

ΔHf, kcal/mol:

-234.39

Dipole, Da:

5.79

IP(EA), eV:

 -8.77(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-4-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)N6CCC(CC6)C)C

DOS

IR

Vibrations