Geometry & MOs

Info

ID:

106359

PubChem CID:

50159350

Reduced:

SO4N7C27H37 (1)

Stoich.:

AB4C7D27E37 (1)

Weight, g/mol:

563.347155

ΔHf, kcal/mol:

-137.62

Dipole, Da:

12.51

IP(EA), eV:

 -8.48(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-ethyl-6-methylanilino)-3-oxopropyl]-1-[1-[2-methyl-4-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=NN=C(S4)C

DOS

IR

Vibrations