Geometry & MOs

Info

ID:

106361

PubChem CID:

50159824

Reduced:

FO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

620.368619

ΔHf, kcal/mol:

-224.59

Dipole, Da:

8.43

IP(EA), eV:

 -9.01(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-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)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations