Geometry & MOs

Info

ID:

107058

PubChem CID:

50187256

Reduced:

ClO4N5C36H48 (1)

Stoich.:

AB4C5D36E48 (1)

Weight, g/mol:

688.394833

ΔHf, kcal/mol:

-178.96

Dipole, Da:

5.13

IP(EA), eV:

 -9.07(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC(C5)C)C

DOS

IR

Vibrations