Geometry & MOs

Info

ID:

91761

PubChem CID:

49978884

Reduced:

FO5N6C31H39 (1)

Stoich.:

AB5C6D31E39 (1)

Weight, g/mol:

636.343547

ΔHf, kcal/mol:

-247.51

Dipole, Da:

8.55

IP(EA), eV:

 -8.63(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[2-fluoro-5-(2-methylbutanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)NC(=O)C)F

DOS

IR

Vibrations