Geometry & MOs

Info

ID:

116319

PubChem CID:

50556487

Reduced:

ClN5O6C33H44 (1)

Stoich.:

AB5C6D33E44 (1)

Weight, g/mol:

625.303097

ΔHf, kcal/mol:

-244.82

Dipole, Da:

6.62

IP(EA), eV:

 -8.52(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)OC)OC)Cl

DOS

IR

Vibrations