Geometry & MOs

Info

ID:

112943

PubChem CID:

50426834

Reduced:

N3O3C18H25 (2)

Stoich.:

A3B3C18D25 (2)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-257.11

Dipole, Da:

5.98

IP(EA), eV:

 -8.99(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC=C3C(=O)N4CCOCC4)C)C

DOS

IR

Vibrations