Geometry & MOs

Info

ID:	396616
PubChem CID:	135028862
Reduced:	SO2H14C20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	376.199822
ΔH_f, kcal/mol:	7.08
Dipole, Da:	3.89
IP(EA), eV:	-8.97(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-O-benzyl 2-O-tert-butyl 5-(hydroxymethyl)-2,7-diazaspiro[3.4]octane-2,7-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=O)C(S2)(C3=CC4=CC=CC=C4C=C3)O

DOS

IR

Vibrations