Geometry & MOs

Info

ID:	308547
PubChem CID:	126496770
Reduced:	ON8C28H36 (1)
Stoich.:	AB8C28D36 (1)
Weight, g/mol:	636.253909
ΔH_f, kcal/mol:	87.96
Dipole, Da:	3.22
IP(EA), eV:	-8.55(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-[(2S)-2-(tert-butylsulfonylamino)-4-phenylbutyl] 4-O-[(2S)-2-(tert-butylsulfonylamino)-3-phenylpropyl] (E)-but-2-enedioate

Drug info:

PubChemData

Smile

C/C=C/1\C=C(\NC2=CC=CC(=C2)CN3CCN(CC(=O)NCCCNC4=NC=C1C=N4)C5(C3)CC5)/N=C

DOS

IR

Vibrations