Geometry & MOs

Info

ID:	169803
PubChem CID:	75152092
Reduced:	OSN3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	315.131802
ΔH_f, kcal/mol:	-21.83
Dipole, Da:	4.19
IP(EA), eV:	-8.8(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl 3-hydroxy-2,5-dioxopyrrolidine-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CCC(C)C1C2CSCCC23C(=C(C1C(=O)N3)N)C#N

DOS

IR

Vibrations