Geometry & MOs

Info

ID:

309360

PubChem CID:

126545650

Reduced:

Cl2O4N8C35H42 (1)

Stoich.:

A2B4C8D35E42 (1)

Weight, g/mol:

576.294785

ΔHf, kcal/mol:

-70.73

Dipole, Da:

3.97

IP(EA), eV:

 -8.22(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (3R)-3-(but-3-enylcarbamoyl)-5-oxo-4-[3-[(1S)-1-(phenylmethoxycarbonylamino)but-3-enyl]phenyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1CCN2[C@H](C1)C(=O)NCCCCC[C@@H](C3=CC2=CC=C3)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=C(NN6)Cl

DOS

IR

Vibrations