Geometry & MOs

Info

ID:

110499

PubChem CID:

50327499

Reduced:

N2O2C13H16 (3)

Stoich.:

A2B2C13D16 (3)

Weight, g/mol:

536.274718

ΔHf, kcal/mol:

-216.21

Dipole, Da:

10.34

IP(EA), eV:

 -8.64(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCCCC4)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations