Geometry & MOs

Info

ID:

90958

PubChem CID:

49972680

Reduced:

ClN5O5C33H44 (1)

Stoich.:

AB5C5D33E44 (1)

Weight, g/mol:

603.378455

ΔHf, kcal/mol:

-215.73

Dipole, Da:

6.73

IP(EA), eV:

 -8.68(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-ethyl-6-methylanilino)-3-oxopropyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations