Geometry & MOs

Info

ID:

104721

PubChem CID:

50104944

Reduced:

N3O3C15H20 (2)

Stoich.:

A3B3C15D20 (2)

Weight, g/mol:

586.15393

ΔHf, kcal/mol:

-224.89

Dipole, Da:

8.95

IP(EA), eV:

 -8.88(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-bromo-3-(methylcarbamoyl)anilino]-2-oxoethyl]-1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C

DOS

IR

Vibrations