Geometry & MOs

Info

ID:

97156

PubChem CID:

50028275

Reduced:

F2O5N6C32H34 (1)

Stoich.:

A2B5C6D32E34 (1)

Weight, g/mol:

597.331505

ΔHf, kcal/mol:

-250.58

Dipole, Da:

10.07

IP(EA), eV:

 -9.06(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)C(=O)N)C

DOS

IR

Vibrations