Geometry & MOs

Info

ID:

438600

PubChem CID:

135228344

Reduced:

SCl2N5C17H21 (1)

Stoich.:

AB2C5D17E21 (1)

Weight, g/mol:

586.409421

ΔHf, kcal/mol:

43.77

Dipole, Da:

3.51

IP(EA), eV:

 -8.51(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[(3R,5S)-3-methoxy-5-methyl-1-[(2S)-2-[(2R)-2-methyl-3-oxo-3-(2-phenylethylamino)propyl]pyrrolidin-1-yl]-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

C1CCN(CC[C@H](C1)N)C2=CN=C(C(=N2)N)SC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations