Geometry & MOs

Info

ID:

106352

PubChem CID:

50158980

Reduced:

FO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-230.44

Dipole, Da:

5.52

IP(EA), eV:

 -8.56(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)F)C)C

DOS

IR

Vibrations