Geometry & MOs

Info

ID:

104070

PubChem CID:

50087169

Reduced:

O5N6C41H44 (1)

Stoich.:

A5B6C41D44 (1)

Weight, g/mol:

668.368619

ΔHf, kcal/mol:

-140.51

Dipole, Da:

2.85

IP(EA), eV:

 -8.53(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-oxo-1-[4-(propylcarbamoyl)anilino]butan-2-yl]-1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)NC(=O)C6=CC=CC=C6

DOS

IR

Vibrations