Geometry & MOs

Info

ID:	393364
PubChem CID:	135020326
Reduced:	NSO3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	399.131802
ΔH_f, kcal/mol:	-20.3
Dipole, Da:	5.78
IP(EA), eV:	-9.46(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC/C=C\COCC#CC2=CC=CC=C2

DOS

IR

Vibrations