Geometry & MOs

Info

ID:

119246

PubChem CID:

50674998

Reduced:

Cl2O5N6C36H46 (1)

Stoich.:

A2B5C6D36E46 (1)

Weight, g/mol:

650.298346

ΔHf, kcal/mol:

-223.1

Dipole, Da:

7.47

IP(EA), eV:

 -8.74(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-carbamoyl-2-methylphenyl)-1-[1-[1-[2-chloro-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCCC5)Cl

DOS

IR

Vibrations