Geometry & MOs

Info

ID:

90258

PubChem CID:

49968023

Reduced:

Cl2O4N5C31H39 (1)

Stoich.:

A2B4C5D31E39 (1)

Weight, g/mol:

581.276883

ΔHf, kcal/mol:

-179.83

Dipole, Da:

8.89

IP(EA), eV:

 -8.88(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-chloroanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations