Geometry & MOs

Info

ID:

118331

PubChem CID:

50638791

Reduced:

Cl2O5N6C34H38 (1)

Stoich.:

A2B5C6D34E38 (1)

Weight, g/mol:

547.17531

ΔHf, kcal/mol:

-166.79

Dipole, Da:

6.91

IP(EA), eV:

 -8.66(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-chloroanilino)-2-oxoethyl]-1-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N(C)C)Cl)NC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations