Geometry & MOs

Info

ID:

116204

PubChem CID:

50550865

Reduced:

Cl2O5N6C36H40 (1)

Stoich.:

A2B5C6D36E40 (1)

Weight, g/mol:

587.20661

ΔHf, kcal/mol:

-180.51

Dipole, Da:

11.34

IP(EA), eV:

 -8.86(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(propylcarbamoyl)phenyl]-1-[2-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl)Cl

DOS

IR

Vibrations