Geometry & MOs

Info

ID:

106350

PubChem CID:

50158816

Reduced:

O4N5C37H51 (1)

Stoich.:

A4B5C37D51 (1)

Weight, g/mol:

620.368619

ΔHf, kcal/mol:

-182.48

Dipole, Da:

5.33

IP(EA), eV:

 -9.01(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC(C5)C)C)C

DOS

IR

Vibrations