Geometry & MOs

Info

ID:	327308
PubChem CID:	126689481
Reduced:	S2O6C19H30 (1)
Stoich.:	A2B6C19D30 (1)
Weight, g/mol:	645.141064
ΔH_f, kcal/mol:	-238.99
Dipole, Da:	3.53
IP(EA), eV:	-8.98(0.03)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

3-[[2-(3-azidopropyl)-5-(2-carboxylatoethylsulfinylmethyl)-4,4-bis(2,5-dioxopyrrolidin-1-yl)-2-methyl-1,3-dioxan-5-yl]methylsulfinyl]propanoate

Drug info:

PubChemData

Smile

CC1(OCC(CO1)(CSCCC(=O)OC)CSCCC(=O)OC)CCC#C

DOS

IR

Vibrations