Geometry & MOs

Info

ID:

90957

PubChem CID:

49972658

Reduced:

O5N6C38H54 (1)

Stoich.:

A5B6C38D54 (1)

Weight, g/mol:

625.303097

ΔHf, kcal/mol:

-225.2

Dipole, Da:

12.26

IP(EA), eV:

 -9.02(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C)C)C

DOS

IR

Vibrations