Geometry & MOs

Info

ID:

90297

PubChem CID:

49968417

Reduced:

O5N6C36H48 (1)

Stoich.:

A5B6C36D48 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-205.44

Dipole, Da:

5.63

IP(EA), eV:

 -8.78(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-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)NCC(=O)NC4=CC=CC(=C4)C(=O)N5CCCCC5

DOS

IR

Vibrations