Geometry & MOs

Info

ID:

109962

PubChem CID:

50303269

Reduced:

O5N6C33H44 (1)

Stoich.:

A5B6C33D44 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-197.39

Dipole, Da:

4.09

IP(EA), eV:

 -8.94(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-oxo-1-[2-(piperidine-1-carbonyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)N4CCCC4)C(=O)N(C)C

DOS

IR

Vibrations