Geometry & MOs

Info

ID:	393365
PubChem CID:	135020327
Reduced:	NO7C21H21 (1)
Stoich.:	AB7C21D21 (1)
Weight, g/mol:	475.163102
ΔH_f, kcal/mol:	-219.69
Dipole, Da:	3.27
IP(EA), eV:	-9.4(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (4S,7S)-2-benzyl-1',3'-dioxospiro[3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxyisoindole-3,2'-indene]-5,6-dicarboxylate

Drug info:

PubChemData

Smile

CN1CC2[C@H]3C(C([C@H](C2C14C(=O)C5=CC=CC=C5C4=O)O3)C(=O)OC)C(=O)OC

DOS

IR

Vibrations