Geometry & MOs

Info

ID:

120610

PubChem CID:

50736883

Reduced:

O5N6C38H52 (1)

Stoich.:

A5B6C38D52 (1)

Weight, g/mol:

585.295119

ΔHf, kcal/mol:

-222.1

Dipole, Da:

8.86

IP(EA), eV:

 -8.77(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-methoxybenzoyl)amino]phenyl]-1-[1-oxo-1-[2-(propylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC=C4C(=O)N5CCCC(C5)C

DOS

IR

Vibrations