Geometry & MOs

Info

ID:

90367

PubChem CID:

49968991

Reduced:

Cl2O4N5C33H41 (1)

Stoich.:

A2B4C5D33E41 (1)

Weight, g/mol:

641.25356

ΔHf, kcal/mol:

-170.79

Dipole, Da:

7.63

IP(EA), eV:

 -8.92(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,4-dichlorophenyl)-1-[1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C(=CC=C5)Cl)Cl

DOS

IR

Vibrations