Geometry & MOs

Info

ID:

106331

PubChem CID:

50157772

Reduced:

FO5N6C40H47 (1)

Stoich.:

AB5C6D40E47 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-219.19

Dipole, Da:

4.79

IP(EA), eV:

 -8.74(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)NC6=CC=C(C=C6)F)C

DOS

IR

Vibrations