Geometry & MOs

Info

ID:	229386
PubChem CID:	87567525
Reduced:	SO2C20H30 (1)
Stoich.:	AB2C20D30 (1)
Weight, g/mol:	536.161071
ΔH_f, kcal/mol:	-58.64
Dipole, Da:	2.36
IP(EA), eV:	-9.38(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoic acid;2,5-dioxopyrrolidine-3-sulfonic acid

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CSCC(=O)O

DOS

IR

Vibrations