Geometry & MOs

Info

ID:

107049

PubChem CID:

50186775

Reduced:

O4N5C37H45 (1)

Stoich.:

A4B5C37D45 (1)

Weight, g/mol:

712.2584

ΔHf, kcal/mol:

-142.76

Dipole, Da:

6.28

IP(EA), eV:

 -8.47(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-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)NC(=O)C5=CC=CC=C5C)C

DOS

IR

Vibrations